Ice-like water structure in carbon nanotube (8,8) induces cationic hydration enhancement

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dc.contributor.authorHe, Zhongjin
dc.contributor.authorZhou, Jian
dc.contributor.authorLu, Xiaohua
dc.contributor.authorCorry, Ben
dc.date.accessioned2015-12-13T22:24:41Z
dc.date.issued2013
dc.date.updated2016-02-24T09:11:02Z
dc.description.abstractIt is well recognized that ice-like water can be formed in carbon nanotubes (CNTs). Here, we perform molecular dynamics simulations of the hydration of Na+, K+ and Cl- in armchair CNT(n,n) (n = 6, 7, 8, 9 and 10) at 300 K to elucidate the effect of such w
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/1885/72842
dc.publisherAmerican Chemical Society
dc.sourceJournal of Physical Chemistry C
dc.subjectKeywords: Cationic hydration; Coordination number; Dipole orientation; First hydration shell; Hydration shell; Ionic hydration; Molecular dynamics simulations; Water interactions; Carbon nanotubes; Hydration; Hydrogen bonds; Molecular dynamics; Molecules; Ice
dc.titleIce-like water structure in carbon nanotube (8,8) induces cationic hydration enhancement
dc.typeJournal article
local.bibliographicCitation.issue21
local.bibliographicCitation.lastpage11420
local.bibliographicCitation.startpage11412
local.contributor.affiliationHe, Zhongjin, College of Medicine, Biology and Environment, ANU
local.contributor.affiliationZhou, Jian, South China University of Technology
local.contributor.affiliationLu, Xiaohua, Nanjing University of Technology
local.contributor.affiliationCorry, Ben, College of Medicine, Biology and Environment, ANU
local.contributor.authoruidHe, Zhongjin, u5257338
local.contributor.authoruidCorry, Ben, u9719358
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor091202 - Composite and Hybrid Materials
local.identifier.ariespublicationf5625xPUB3451
local.identifier.citationvolume117
local.identifier.doi10.1021/jp4025206
local.identifier.scopusID2-s2.0-84878356726
local.identifier.thomsonID000319896700060
local.type.statusPublished Version

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