Ab initio Studies of Solid Oxide Fuel Cell Materials

Yueh-Lin Lee, Dane Morgan, Materials Science Program

1. Ab initio Study of of Surface Properties of LaMnO3

2. Ab initio Study of Oxygen-Vacancy Ordering in Oxygen Conducting Ba2In2O5

• Acknowledgment

We gratefully acknowledge financial support from the National Science Foundation (NSF) MRSEC program, Division of Materials Research (DMR), award number 0079983.  We gratefully acknowledge computing support from the National Science Foundation (NSF) National Center for Supercomputing Applications (NCSA), award number DMR060007