TY - JOUR

T1 - Computer Simulation of Fluorine Ionic Mobility in β-PbF2 Crystal Doped with Strontium and Potassium Fluorides

AU - Petrov, А. V.

AU - Ji, Q.

AU - Murin, I. V.

PY - 2022/12

Y1 - 2022/12

N2 - The ion transport processes in homo- and heterovalent solid solutions based on the β-PbF2 crystal were studied using the molecular dynamics method. It was shown that the doping of this crystal with strontium fluoride leads to an increase in the mobility of fluorine atoms. The migration of fluorine by the vacancy mechanism explains the increase in the mobility of fluorine atoms in the Pb0.75Sr0.2K0.05F1.95 solid solution crystal.

AB - The ion transport processes in homo- and heterovalent solid solutions based on the β-PbF2 crystal were studied using the molecular dynamics method. It was shown that the doping of this crystal with strontium fluoride leads to an increase in the mobility of fluorine atoms. The migration of fluorine by the vacancy mechanism explains the increase in the mobility of fluorine atoms in the Pb0.75Sr0.2K0.05F1.95 solid solution crystal.

KW - ionic mobility

KW - Inorganic fluorides

KW - solid electrolytes

KW - molecular dynamics

KW - solid solution

KW - lead fluoride

U2 - 10.1134/S1070363222120404

DO - 10.1134/S1070363222120404

M3 - Article

VL - 92

SP - 2877

EP - 2879

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 12

ER -