A Monte-Carlo model of ionic transport across a solid interface

Autor:	Ivo S. Nachev
Rok vydání:	1995
Předmět:	Battery (electricity) Open-circuit voltage Interface (computing) Monte Carlo method chemistry.chemical_element Ionic bonding General Chemistry Condensed Matter Physics Ion chemistry Physics::Plasma Physics Chemical physics Physical chemistry General Materials Science Lithium Hexagonal lattice
Zdroj:	Journal of Physics and Chemistry of Solids. 56:1039-1043
ISSN:	0022-3697
DOI:	10.1016/0022-3697(95)00036-4
Popis:	An improved Monte-Carlo model of ionic transport across a solid interface in a two-dimensional triangular lattice is presented. The new features of the model are: (i) more realistic form of the microscopic potential of the ion-ion interaction; (ii) accounting of the mutual ion interactions up to second nearest neighbors. This way it is possible to simulate more flexibly the ionic transport across the real interface between a fast-ion conducting glass and the intercalate in the cathode of a lithium thin-film battery. Numerical results computed with this model are presented by emphasizing the influence of the internal interface on the ion distribution, the site energies and the open circuit voltage.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ea2c53b781758330463dcaee31fc3478 https://doi.org/10.1016/0022-3697(95)00036-4 Zobrazit plný text záznamu Full Text from ScienceDirect