1. Anion-cation dynamic cooperation in a paradigmatic ionic conductor around its superionic transition
- Author
-
Marisa Alejandra Frechero, Eider Iván Vivas Tulandy, and Alvaro Garcia Muriel
- Subjects
Statistics and Probability ,Work (thermodynamics) ,Materials science ,HOPPING MECHANISM ,Ciencias Físicas ,Silver iodide ,Ionic bonding ,Condensed Matter Physics ,01 natural sciences ,MOLECULAR DYNAMIC ,010305 fluids & plasmas ,Ion ,Conductor ,Molecular dynamics ,chemistry.chemical_compound ,SOLID IONIC CONDUCTOR ,chemistry ,Chemical physics ,0103 physical sciences ,Fast ion conductor ,010306 general physics ,Pair potential ,CIENCIAS NATURALES Y EXACTAS ,Física de los Materiales Condensados - Abstract
Silver iodide (AgI) is one of the most extensively studied superionic conductors. In this work, we have applied the standard Buckingham pair potential and standard charge. For the first time the microscopic dynamic events that allow the achievement of the superionic transition are revealed. A collaborative effect among cations and anions that makes possible the hopping mechanism within the appropriate timescale is revealed. Fil: Tulandy, Eider Iván Vivas. Universidad Politécnica de Cartagena; España Fil: García Muriel, Alvaro. Universidad de Cartagena; Colombia Fil: Frechero, Marisa Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
- Published
- 2019