Cargando…

Faraday cage screening reveals intrinsic aspects of the van der Waals attraction

General properties of the recently observed screening of the van der Waals (vdW) attraction between a silica substrate and silica tip by insertion of graphene are predicted using basic theory and first-principles calculations. Results are then focused on possible practical applications, as well as a...

Descripción completa

Detalles Bibliográficos
Autores principales: Li, Musen, Reimers, Jeffrey R., Dobson, John F., Gould, Tim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6217410/
https://www.ncbi.nlm.nih.gov/pubmed/30327347
http://dx.doi.org/10.1073/pnas.1811569115
_version_ 1783368329991290880
author Li, Musen
Reimers, Jeffrey R.
Dobson, John F.
Gould, Tim
author_facet Li, Musen
Reimers, Jeffrey R.
Dobson, John F.
Gould, Tim
author_sort Li, Musen
collection PubMed
description General properties of the recently observed screening of the van der Waals (vdW) attraction between a silica substrate and silica tip by insertion of graphene are predicted using basic theory and first-principles calculations. Results are then focused on possible practical applications, as well as an understanding of the nature of vdW attraction, considering recent discoveries showing it competing against covalent and ionic bonding. The traditional view of the vdW attraction as arising from pairwise-additive London dispersion forces is considered using Grimme’s “D3” method, comparing results to those from Tkatchenko’s more general many-body dispersion (MBD) approach, all interpreted in terms of Dobson’s general dispersion framework. Encompassing the experimental results, MBD screening of the vdW force between two silica bilayers is shown to scale up to medium separations as 1.25 d(e)/d, where d is the bilayer separation and d(e) is its equilibrium value, depicting antiscreening approaching and inside d(e). Means of unifying this correlation effect with those included in modern density functionals are urgently required.
format Online
Article
Text
id pubmed-6217410
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher National Academy of Sciences
record_format MEDLINE/PubMed
spelling pubmed-62174102018-11-06 Faraday cage screening reveals intrinsic aspects of the van der Waals attraction Li, Musen Reimers, Jeffrey R. Dobson, John F. Gould, Tim Proc Natl Acad Sci U S A PNAS Plus General properties of the recently observed screening of the van der Waals (vdW) attraction between a silica substrate and silica tip by insertion of graphene are predicted using basic theory and first-principles calculations. Results are then focused on possible practical applications, as well as an understanding of the nature of vdW attraction, considering recent discoveries showing it competing against covalent and ionic bonding. The traditional view of the vdW attraction as arising from pairwise-additive London dispersion forces is considered using Grimme’s “D3” method, comparing results to those from Tkatchenko’s more general many-body dispersion (MBD) approach, all interpreted in terms of Dobson’s general dispersion framework. Encompassing the experimental results, MBD screening of the vdW force between two silica bilayers is shown to scale up to medium separations as 1.25 d(e)/d, where d is the bilayer separation and d(e) is its equilibrium value, depicting antiscreening approaching and inside d(e). Means of unifying this correlation effect with those included in modern density functionals are urgently required. National Academy of Sciences 2018-10-30 2018-10-16 /pmc/articles/PMC6217410/ /pubmed/30327347 http://dx.doi.org/10.1073/pnas.1811569115 Text en Copyright © 2018 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by-nc-nd/4.0/ This open access article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND) (https://creativecommons.org/licenses/by-nc-nd/4.0/) .
spellingShingle PNAS Plus
Li, Musen
Reimers, Jeffrey R.
Dobson, John F.
Gould, Tim
Faraday cage screening reveals intrinsic aspects of the van der Waals attraction
title Faraday cage screening reveals intrinsic aspects of the van der Waals attraction
title_full Faraday cage screening reveals intrinsic aspects of the van der Waals attraction
title_fullStr Faraday cage screening reveals intrinsic aspects of the van der Waals attraction
title_full_unstemmed Faraday cage screening reveals intrinsic aspects of the van der Waals attraction
title_short Faraday cage screening reveals intrinsic aspects of the van der Waals attraction
title_sort faraday cage screening reveals intrinsic aspects of the van der waals attraction
topic PNAS Plus
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6217410/
https://www.ncbi.nlm.nih.gov/pubmed/30327347
http://dx.doi.org/10.1073/pnas.1811569115
work_keys_str_mv AT limusen faradaycagescreeningrevealsintrinsicaspectsofthevanderwaalsattraction
AT reimersjeffreyr faradaycagescreeningrevealsintrinsicaspectsofthevanderwaalsattraction
AT dobsonjohnf faradaycagescreeningrevealsintrinsicaspectsofthevanderwaalsattraction
AT gouldtim faradaycagescreeningrevealsintrinsicaspectsofthevanderwaalsattraction