The Effect of Co-Doping at the A-Site on the Structure and Oxide Ion Conductivity in (Ba0.5-xSrx)La0.5InO3-δ: A
Kuk-Jin Hwang1, Hae-Jin Hwang2, Myung-Hyun Lee1
1Energy & Environmental Division, Korea Institute of Ceramic Engineering and Technology, 101 Soho-ro, Jinju-si, Gyeongsangnam-do 52851, Korea.
Abstract:
A molecular dynamics simulation was used to investigate the structural and transport properties of a (Ba0.5-xSrx)La0.5InO3-δ (x = 0, 0.1, 0.2) oxygen ion conductor. Previous studies reported that the ionic conductivity of Ba-doped LaInO3 decreases because Ba dopant forms a narrow oxygen path in the lattice, which could hinder the diffusion of oxygen ions. In this study, we reveal the mechanism to improve ionic conductivity by Ba and Sr co-doping on an La site in LaInO3 perovskite oxide. The results show that the ionic conductivity of (Ba0.5-xSrx)La0.5InO3-δ increases with an increasing number of Sr ions because oxygen diffusion paths which contain Sr ions have a larger critical radius than those containing Ba ions. The radial distribution function (RDF) calculations show that the peak heights in compositions including Sr ions were lower and broadened, meaning that the oxygen ions moved easily into other oxygen sites.
More Related Videos
Related Concept Videos
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Ionic Strength: Effects on Chemical Equilibria
In this solution, the primary...
Factors Affecting Activity Coefficient
The activity coefficient value for an ion is close to one when the solution has almost zero ionic strength, i.e., when the solution shows close to ideal behavior. As the ionic strength of the solution increases from 0 to 0.1 mol/L, a...
Valence Bond Theory
Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Trends in Lattice Energy: Ion Size and Charge


