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Interplay of host volume variations and internal distortions in the course of intercalation into disordered matrices
dc.contributor.author | Garcia-Belmonte, Germà | |
dc.contributor.author | Vakarin, Eduard V. | |
dc.contributor.author | Badiali, Jean Pierre | |
dc.date.accessioned | 2017-03-01T15:10:10Z | |
dc.date.available | 2017-03-01T15:10:10Z | |
dc.date.issued | 2007 | |
dc.identifier.issn | 00219606 | |
dc.identifier.uri | http://hdl.handle.net/10234/166402 | |
dc.description.abstract | Based on a combination of the distortive lattice gas model and the maximum information entropy approach, the thermodynamics of insertion into disordered hosts is analyzed. It is found that the isotherm specificities can be explained as a cooperative interplay of the host volume expansion and the internal distortions, which tend to optimize the host structure inducing a local lowering of the insertion energetic cost. Behavior of amorphous Lix W O3 films of different thicknesses is discussed in this context. | |
dc.format.extent | 6 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.relation.isPartOf | Journal of Chemical Physics, 126 | ca_CA |
dc.rights | © 2007 American Institute of Physics | |
dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | * |
dc.subject | Adsorption isotherms | ca_CA |
dc.subject | Crystal lattices | ca_CA |
dc.subject | Entropy | ca_CA |
dc.subject | Intercalation | ca_CA |
dc.subject | Thermodynamics | ca_CA |
dc.subject | Quantum chemistry | ca_CA |
dc.subject | Host structure | ca_CA |
dc.subject | Host volume expansion | ca_CA |
dc.subject | Internal distortions | ca_CA |
dc.title | Interplay of host volume variations and internal distortions in the course of intercalation into disordered matrices | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | http://dx.doi.org/10.1063/1.2743410 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca_CA |
dc.relation.publisherVersion | http://aip.scitation.org/doi/10.1063/1.2743410 | ca_CA |
dc.type.version | info:eu-repo/semantics/publishedVersion |
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