Ionic conductivity

About: Ionic conductivity is a research topic. Over the lifetime, 19412 publications have been published within this topic receiving 519167 citations.

Predicting ionic conductivity of solid oxide fuel cell electrolyte from first principles

Abstract: First-principles quantum simulations complemented with kinetic Monte Carlo calculations were performed to gain insight into the oxygen vacancy diffusion mechanism and to explain the effect of dopant composition on ionic conductivity in yttria-stabilized zirconia (YSZ). Density-functional theory (DFT) within the local-density approximation with gradient correction was used to calculate a set of energy barriers that oxygen ions encounter during migration in YSZ by a vacancy mechanism. Kinetic Monte Carlo simulations were then performed using Boltzmann probabilities based on the calculated DFT barriers to determine the dopant concentration dependence of the oxygen self-diffusion coefficient in (Y2O3)x(ZrO2)(1−2x) with x increasing from 6% to 15%. The results from the simulations suggest that the maximum conductivity occurs at 7–9mol% Y2O3 at 600–1500K and that the effective activation energy increases at higher Y doping concentrations in good agreement with previously reported literature data. The increase i...

Electrical Conduction and Phase Transition of Copper Sulfides

Abstract: Electrical conductivity measurements have been made on copper sulfide crystals of compositions ranging from Cu1.8S to Cu2.0S and indium-doped Cu1.8S in the temperature region between 20°C and 220°C. Conductivity of Cu2-xS varied from 0.07 ohm-1cm-1 to 2400 ohm-1cm-1 as the deviation from stoichiometry increased from x=0 to x=0.2. It was found that Cu1.8S (digenite) and Cu1.96S (djurleite) undergo phase transitions at 90°C and at 93°C respectively. The transition temperature of Cu2S (chalcocite) increased from 98°C to 108°C as conductivity decreased from 52 ohm-1cm-1 to 0.07 ohm-1cm-1. An analysis of mixed conduction at β phase of low conductivity copper sulfide has shown that ionic conductivity is independent of the composition or the number of impurity cations in this material, and exhibits a temperature dependence with activation energy of 0.24 eV. Finally it is emphasized, after the discussion of the relation between electrical properties and crystal structure of copper sulfides, that the composition and crystalline phase are well characterized by the electrical conductivity in these materials.