Please use this identifier to cite or link to this item:
https://scholarbank.nus.edu.sg/handle/10635/86818
DC Field | Value | |
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dc.title | Transport pathways for mobile ions in disordered solids from the analysis of energy-scaled bond-valence mismatch landscapes | |
dc.contributor.author | Adams, S. | |
dc.contributor.author | Rao, R.P. | |
dc.date.accessioned | 2014-10-07T09:55:10Z | |
dc.date.available | 2014-10-07T09:55:10Z | |
dc.date.issued | 2009 | |
dc.identifier.citation | Adams, 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. | |
dc.identifier.issn | 14639076 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/86818 | |
dc.description.abstract | Structure-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.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1039/b901753d | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | MATERIALS SCIENCE AND ENGINEERING | |
dc.description.sourcetitle | Physical Chemistry Chemical Physics | |
dc.description.volume | 11 | |
dc.description.issue | 17 | |
dc.description.page | 3210-3216 | |
dc.description.coden | PPCPF | |
dc.identifier.isiut | 000265195600025 | |
Appears in Collections: | Staff Publications |
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