Breakthrough in Solid Oxide Fuel Cell Research

• fuel cell

Department of Materials Science and Engineering research associate Dr. Yuri Mastrikov and adjunct professor Dr. Maija Kuklja (National Science Foundation [NSF]), in collaboration with Max-Planck Institute researchers Eugene Kotomin and Joachim Maier, have used large scale computer modeling to demonstrate that the vacancy formation energy in (Ba,Sr)(Co, Fe)O₃ complex perovskites is much smaller than in other perovskites, which translates into orders of magnitude larger defect concentrations and fast oxygen transport in mixed electronic-ionic conductors for numerous applications. The group recently published its results in Energy & Environmental Science. The work is supported in part by the NSF.

Solid oxide fuel cells (SOFC) are promising devices for generating energy in an environmentally friendly way by a direct conversion of fossil and renewable fuels into electricity and high-quality heat. A major challenge to improving the functionality and implementation of SOFCs is the need to reduce their operating temperatures down to 500–600°C.

In the article, "First-principles modeling of complex perovskite (Ba_1-xSr_x)(Co_1-yFe_y)O_3-δ for solid oxide fuel cell and gas separation membrane applications," the authors describe their search of complex perovskites combining high oxygen vacancy concentration (non-stoichiometry) and high vacancy mobility at moderate temperatures, as well as long-term cubic structure stability against transformation and degradation in polluted atmosphere.

The team has demonstrated that the optimal strategy for developing a new and improved SOFC cathode should be based on the combination of key experimental data on oxygen incorporation into material, and first-principles thermodynamics/kinetics of oxygen reduction and related processes. They have been able to identify the atomistic mechanisms of key reactions for (La,Sr)MnO₃ (LSM) with the emphasis on the rate-determining steps. Based on the study, the researchers plan to perform a similar analysis for BSCF and related complex perovskites.

For More Information:

See Yuri A. Mastrikov, Maija M. Kuklja, Eugene A. Kotomin and Joachim Maier, "First-principles modeling of complex perovskite (Ba_1-xSr_x)(Co_1-yFe_y)O_3-δ for solid oxide fuel cell and gas separation membrane applications," Energy Environ. Sci., 2010, Advance Article »

Published August 18, 2010