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Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores

The behaviours of a range of polar and non-polar organic liquids (acetone, ethanol, methanol, N-methyl-2-pyrrolidone (NMP), carbon tetrachloride and water) confined to 2D graphene nanochannels with thicknesses in the range of 4.5 Å to 40 Å were studied using classical molecular dynamics and hybrid d...

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Detalles Bibliográficos
Autores principales: Terrones, Jeronimo, Kiley, Patrick J., Elliott, James A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4893708/
https://www.ncbi.nlm.nih.gov/pubmed/27265098
http://dx.doi.org/10.1038/srep27406
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author Terrones, Jeronimo
Kiley, Patrick J.
Elliott, James A.
author_facet Terrones, Jeronimo
Kiley, Patrick J.
Elliott, James A.
author_sort Terrones, Jeronimo
collection PubMed
description The behaviours of a range of polar and non-polar organic liquids (acetone, ethanol, methanol, N-methyl-2-pyrrolidone (NMP), carbon tetrachloride and water) confined to 2D graphene nanochannels with thicknesses in the range of 4.5 Å to 40 Å were studied using classical molecular dynamics and hybrid density functional theory. All liquids were found to organise spontaneously into ordered layers parallel to the confining surfaces, with those containing polar molecules having their electric dipoles aligned parallel to such surfaces. In particular, monolayers of NMP showed remarkable in-plane ordering and low molecular mobility, suggesting the existence of a previously unknown 2D solid-like phase. Calculations for polar liquids showed dramatically reduced static permittivities normal to the confining surfaces; these changes are expected to improve electron tunnelling across the liquid films, modifying the DC electrical properties of immersed assemblies of carbon nanomaterials.
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spelling pubmed-48937082016-06-10 Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores Terrones, Jeronimo Kiley, Patrick J. Elliott, James A. Sci Rep Article The behaviours of a range of polar and non-polar organic liquids (acetone, ethanol, methanol, N-methyl-2-pyrrolidone (NMP), carbon tetrachloride and water) confined to 2D graphene nanochannels with thicknesses in the range of 4.5 Å to 40 Å were studied using classical molecular dynamics and hybrid density functional theory. All liquids were found to organise spontaneously into ordered layers parallel to the confining surfaces, with those containing polar molecules having their electric dipoles aligned parallel to such surfaces. In particular, monolayers of NMP showed remarkable in-plane ordering and low molecular mobility, suggesting the existence of a previously unknown 2D solid-like phase. Calculations for polar liquids showed dramatically reduced static permittivities normal to the confining surfaces; these changes are expected to improve electron tunnelling across the liquid films, modifying the DC electrical properties of immersed assemblies of carbon nanomaterials. Nature Publishing Group 2016-06-06 /pmc/articles/PMC4893708/ /pubmed/27265098 http://dx.doi.org/10.1038/srep27406 Text en Copyright © 2016, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Terrones, Jeronimo
Kiley, Patrick J.
Elliott, James A.
Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
title Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
title_full Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
title_fullStr Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
title_full_unstemmed Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
title_short Enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
title_sort enhanced ordering reduces electric susceptibility of liquids confined to graphene slit pores
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4893708/
https://www.ncbi.nlm.nih.gov/pubmed/27265098
http://dx.doi.org/10.1038/srep27406
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