Topic
Ionic conductivity
About: Ionic conductivity is a research topic. Over the lifetime, 19412 publications have been published within this topic receiving 519167 citations.
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TL;DR: In this article, a range of cation dopant substitutions with oxygen vacancy compensation was considered, and the formation of dopant−vacancy clusters was examined with the lowest binding energy found for the Sr−Vacancy configuration.
Abstract: Computer-modeling techniques have been used to investigate the defect and transport properties of the LaGaO3-based oxygen ion conductor. We consider a range of cation dopant substitutions with oxygen vacancy compensation. Favorable acceptor dopants (on energetic grounds) are predicted to be Sr at La and Mg at Ga, in accord with experimental work. The formation of dopant−vacancy clusters is examined with the lowest binding energy found for the Sr−vacancy configuration. Oxygen-vacancy migration is along the GaO6 octahedron edge with a curved trajectory and a calculated migration energy of 0.73 eV. We have also examined cation-vacancy transport, which reveals high migration energies (>4 eV). Hole formation from an oxidation process is calculated to be relatively unfavorable, which is compatible with experimental findings that show predominantly ionic conduction in doped LaGaO3. Furthermore, consideration of water incorporation suggests that proton conduction will not be significant in this material.
139 citations
139 citations
TL;DR: The linear poly[(alkoxy)phosphazene, [NP(OC 2 H 4 OC 2H 4 OCH 3 ) 2 ] n (MEEP) was synthesized and investigated as a polymeric electrolyte host material as mentioned in this paper.
139 citations
139 citations
TL;DR: In this article, structure property relationships for polymerized ionic liquids (PILs) relate chemical structure to ionic conductivity and reveal the importance of glass transition temperature (Tg) and the energy associated with an ion-hopping mechanism for ion conduction for a series of alkyl-substituted vinylimidazolium PILs.
Abstract: Structure-property relationships for polymerized ionic liquids (PILs) relate chemical structure to ionic conductivity and reveal the importance of glass transition temperature (Tg) and the energy associated with an ion-hopping mechanism for ion conduction for a series of alkyl-substituted vinylimidazolium PILs. The alkyl-substituted vinylimidazolium-based PILs with varying lengths of n-alkyl substituents provide diverse precursors with exchangeable anions to further enhance thermal stability and ionic conductivity. As the anion size increases, regardless of alkyl substituent length, Tg decreases and the onset of weight loss, TD, increases. As the length of the alkyl substituent increases, Tg decreases for PILs with Br− and BF4− counteranions. Ionic conductivity increases over an order of magnitude upon exchange of the counteranion from TfO− < Tf2N−.
138 citations