@article{JIN2023, 
author = {Fangjun JIN and Yihan LING},
title = {Performance of Calcium Doping in Layered Double Perovskite as Cathode Material for Solid Oxide Fuel Cells},
year = {2023},
journal = {Journal of the Chinese Ceramic Society},
volume = {51},
number = {7},
pages = {1773-1782},
keywords = {solid oxide fuel cell, double perovskite, cathode, density function theory calculation, electrochemical performance},
url = {https://www.sciopen.com/article/10.14062/j.issn.0454-5648.20221071},
doi = {10.14062/j.issn.0454-5648.20221071},
abstract = {The double perovskite oxides are widely investigated as cathode materials for solid oxide fuel cell (SOFC) due to their superior ionic electron conductivity. In this work, Pr0.9Ca0.1Ba1–xCaxCo2O5+δ (0≤ x≤ 0.3, PCBC) was prepared by a modified complexing sol–gel process. Based on the electrical conductivity results, Ca ion co-doping can effectively improve the conductivity of the material. The electrochemical performance results indicate that the cathode with x of 0.2 has the optimum oxygen catalytic activity, and the polarization impedance is only 0.069 Ω·cm2 at 700 ℃. The oxygen vacancy formation energy, density of states, as well as O s and O p band center of PrBaCo2O5+δ, Pr0.75Ca0.25BaCo2O5+δ, and Pr0.75Ca0.25Ba0.75Ca0.25Co2O5+δ materials were calculated based on the GGA–PBE function. It is indicated that Pr-site doped with Ca can reduce the oxygen vacancy formation energy, while Ba-site doped with Ca can increase the oxygen vacancy formation energy. The calculation results of O p band center show that the strategy of Ba–site doped with Ca can effectively increase the oxygen reduction activity. The co-doping strategy of double perovskite can improve the thermal expansion, conductivity, electrochemical performance, and long-term stability of the material.}
}