| Author | dc.contributor.author | Mendizábal Emaldía, Fernando | |
| Author | dc.contributor.author | Contreras Ramos, Renato | es_CL |
| Author | dc.contributor.author | Aizman, Arie | |
| Admission date | dc.date.accessioned | 2012-03-05T19:53:37Z | |
| Available date | dc.date.available | 2012-03-05T19:53:37Z | |
| Publication date | dc.date.issued | 1994-10-14 | |
| Cita de ítem | dc.identifier.citation | International Journal of Quantum Chemistry, Vol. 56, 819-823, 1995 | es_CL |
| Identifier | dc.identifier.issn | 0020-7608 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/119389 | |
| Abstract | dc.description.abstract | The variation of the charge capacity of a double-layer 1T-TiS2 model system upon increasing intercalation with Lithium is examined at a molecular level. The charge capacity is modeled through the global hardness index of density functional theory. The results obtained qualitatively reproduce the experimental trend observed in the voltage-composition variation curve in this system. Comparison with previous theoretical models show that the present approach may give a more complete information about the double-layer capacitance, since it takes into account the Lithium ionicity and the host-guest specific interactions | es_CL |
| Patrocinador | dc.description.sponsorship | Fernando Mendizabal is a Fundacion Andes fellow.
Work supported by Fondecyt under contract
1940348. | es_CL |
| Lenguage | dc.language.iso | en | es_CL |
| Publisher | dc.publisher | John Wiley & Sons | es_CL |
| Título | dc.title | A model for the charge capacity of lT-TiS2 intercalated with Li | es_CL |
| Document type | dc.type | Artículo de revista | |
| dcterms.accessRights | dcterms.accessRights | Acceso a solo metadatos | |
| Cataloguer | uchile.catalogador | apc | |
