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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2016
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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. |
format | Online Article Text |
id | pubmed-4893708 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
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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