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Molecular Dynamics Study of Structural and Transport Properties of Silver Iodide Using Effective Charges

The superionic conductor, solid state, and body-centered cubic structure, silver iodide at room temperature, has been studied via molecular dynamics simulations. The calculated results using pairwise Coulomb-Buckingham potential, zero pressure on the sample, a semi-rigid model system of 1000 Ag and...

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Detalles Bibliográficos
Autores principales: Peña Lara, Diego, Correa, Hernando, Diosa, Jesús Evelio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9503208/
https://www.ncbi.nlm.nih.gov/pubmed/36144865
http://dx.doi.org/10.3390/molecules27186132