Understanding the Mechanism of Superionic Transport from Trends of Materials Properties

Ion Transport in Na2M2TeO6: Insights from Molecular Dynamics Simulation

“…19 Thus, development of sodium conducting FICs working at ambient temperatures is gaining renewed attention. 17 One of the major challenges 20,21 in the search for improved FICs is the lack of microscopic information related to the conduction mechanism, 22 which limits our understanding of factors that control the ion transport. The search for better FICs is, thus, largely guided by intuition.…”

Evidence of a Proximity Effect in a (AgI)x − C(1−x) Mixture Using a Simulation Model Based on Random Variable Theory

“…Superionic conductors allow for the movement of ions through their structure and exhibit unusually high ionic conductivity values (similar to liquid electrolytes). AgI is a superionic compound whose high conductivity was discovered in 1914 [ 1 ] and has been extensively studied experimentally [ 2 , 3 , 4 , 5 , 6 , 7 ], theoretically [ 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 ], and with computer simulations [ 16 , 17 , 18 , 19 , 20 , 21 , 22 ]. At atmospheric pressure, AgI is polymorphic [ 23 ], with phases designated gamma, beta, and alpha (γ, β, and α), which become accessible with increasing temperature T. At room temperature, the γ phase [ 24 ] is thermodynamically meta-stable with a zinc blende structure, and the β phase [ 25 ] is stable with a wurtzite structure.…”

“…Several phenomenological [ 8 , 9 , 10 , 11 ] and theoretical [ 12 , 13 , 14 , 15 ] models have been proposed to explain the basic transport mechanism of silver ions in this case. The diffusion of silver ions is assumed to be hopping [ 34 ].…”

Phases Transition in Carbon-doped Silver Iodide

“…Superionic conductors allow the movement of ions through their structure, showing unusually high ionic conductivity values (similar to liquid electrolytes). Silver iodide or AgI, since its high conductivity was discovery in 1914 [1] has been extensively studied from both experimentally [2][3][4][5][6] and theoretically [7][8][9][10][11][12][13] points of view. At atmospheric pressure, AgI is polymorphic [14] with phases denoted by γ, β, and α, accessible with increasing temperature T. At room temperature, the γ phase [15] is thermodynamically meta-stable with a zinc blende structure and the β phase [16] is stable with a wurtzite structure.…”