Please use this identifier to cite or link to this item: https://doi.org/10.1039/b901753d
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dc.titleTransport pathways for mobile ions in disordered solids from the analysis of energy-scaled bond-valence mismatch landscapes
dc.contributor.authorAdams, S.
dc.contributor.authorRao, R.P.
dc.date.accessioned2014-06-17T08:00:33Z
dc.date.available2014-06-17T08:00:33Z
dc.date.issued2009
dc.identifier.citationAdams, S., Rao, R.P. (2009). Transport pathways for mobile ions in disordered solids from the analysis of energy-scaled bond-valence mismatch landscapes. Physical Chemistry Chemical Physics 11 (17) : 3210-3216. ScholarBank@NUS Repository. https://doi.org/10.1039/b901753d
dc.identifier.issn14639076
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/65050
dc.description.abstractStructure-property relationships provide valuable guidelines for a systematic development of functional materials. Here an augmented bond-valence approach is worked out that is linked directly to the energy scale. This energy-scaled bond-valence approach is then used to identify ion-conduction pathways and to establish structure-property relationships in complex disordered solids using lithium silicate glasses as model systems. Representative local structure models of glassy solid electrolytes as a basis for the pathway analysis are derived from molecular dynamics simulations. Predictions of the bond-valence model from a static structure model are compared to a complete trajectory analysis, showing a high degree of agreement. The method yields consistent results when changing the simulation force field and is applicable to a wide range of glasses. © 2009 the Owner Societies.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1039/b901753d
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentMATERIALS SCIENCE AND ENGINEERING
dc.description.doi10.1039/b901753d
dc.description.sourcetitlePhysical Chemistry Chemical Physics
dc.description.volume11
dc.description.issue17
dc.description.page3210-3216
dc.description.codenPPCPF
dc.identifier.isiut000265195600025
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