There are no files associated with this item.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 3069 | - |
dc.citation.number | 20 | - |
dc.citation.startPage | 3065 | - |
dc.citation.title | JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - |
dc.citation.volume | 3 | - |
dc.contributor.author | Thapa, Ranjit | - |
dc.contributor.author | Park, Noejung | - |
dc.date.accessioned | 2023-12-22T04:41:22Z | - |
dc.date.available | 2023-12-22T04:41:22Z | - |
dc.date.created | 2013-06-18 | - |
dc.date.issued | 2012-10 | - |
dc.description.abstract | We investigated the microscopic mechanism of ion transport in iodide ionic liquid, using first-principles calculations. We show that the desorption barrier of polyiodides (I-3(-) or I-3(-)) from the cation is in a similar energy range as or higher than the barrier for the bond dissociation and ensued desorption of neutral iodine (I-2). This suggests that, instead of the physical diffusion of such a negatively charged multiatomic species, the exchange of neutral iodine (I-2) between the polyiodides can be an easier channel for the movement of polyiodide. For the transport of the monoiodide anion (I-), we suggest the contribution of the Grotthuss-type ion exchange through the intermediately formed even-member anion (I-2n(-)), in addition to drift and diffusion. As a result, we suggest that, instead of the commonly cited diffusion of the triiodide/iodide (I-3(-)/I-) redox couple, the exchange of neutral iodine (I-2) and the Grotthuss-type transport (I-) constitute the dominant ion transport mechanism. | - |
dc.identifier.bibliographicCitation | JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.3, no.20, pp.3065 - 3069 | - |
dc.identifier.doi | 10.1021/jz301298w | - |
dc.identifier.issn | 1948-7185 | - |
dc.identifier.scopusid | 2-s2.0-84867637071 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/3571 | - |
dc.identifier.url | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84867637071 | - |
dc.identifier.wosid | 000310177200024 | - |
dc.language | 영어 | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | First-Principles Identification of Iodine Exchange Mechanism in Iodide Ionic Liquid | - |
dc.type | Article | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalResearchArea | Chemistry; Science & Technology - Other Topics; Materials Science; Physics | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr
Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.
ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.