A molecular dynamics simulation of premelting effect in AgBr

Thermodynamic Properties of AgCl and AgBr

“…Silver chloride and silver bromide are well-known examples of compounds with predominant Frenkel disorder of the cations in the crystal lattice. 1-9 A significant disorder in these compounds 4,5,[9][10][11] appears at temperatures about (100 to 200) K lower than the melting temperatures, which is in excellent agreement with our heat capacity experimental results.…”

“…On the other hand, the data of Pankratz 12 are incorrect too. These data suggest the possibility of disordering starting at ambient temperature, which has not been reported in the literature 4,5,[9][10][11] nor found in the course of our experimental determinations. Also, heat capacity evolution when approaching the AgCl and AgBr melting temperature seems inconsistent with a widely accepted premelting disorder.…”

“…[1][2][3][4][5][6][7][8][9][10][11] There were two main questions concerning the understanding of experimental results on these materials. The first, what is the mechanism of ion transport in each of these compounds, and the second, how does ionic conduction relate to other physical properties.…”

A novel cetyltrimethyl ammonium silver bromide complex and silver bromide nanoparticles obtained by the surfactant counterion

“…In addition, the DTA endothermic peak at 426 • C in Fig. 8b corresponds to the melting of silver bromide crystals, which is the melting point of silver bromide crystal [43].…”

Structure and Ionic Transport Properties of AgI1–xBrx within Single-Wall Carbon Nanotubes from Molecular Dynamics Simulation

“…At the same time, there is a need for more detailed studies of ion transport in nanotubes filled by solid or molten inorganic salts. Here, silver halides would be of a particular interest, as they form high-conducting “superionic” solid phases with a peculiar structure (AgI) , or exhibit a “premelting” effect starting from temperatures ∼150 K below the melting point when ionic conductivity of the solid phase increases, deviating significantly upward from Arrhenius-like temperature dependence, without a structural transition (AgCl, AgBr). − In mixed Ag­(I, Br) systems, an additional substantial increase of conductivity, both in one-phase and two-phase regions of the phase diagram, was observed . Investigating ion migration characteristics, in their relationship with the nanoscale structure, of pure and mixed silver halides under conditions of confinement in a nanotube can provide a new insight into behavior of composite systems of that kind that can also be of practical importance.…”