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First Principles Computation Study and Design of δ-Bi2O3 Oxygen Ionic Conductors

dc.contributor.advisorMo, Yifeien_US
dc.contributor.authorMacBride, Jonathon Kaineen_US
dc.date.accessioned2017-01-25T06:38:54Z
dc.date.available2017-01-25T06:38:54Z
dc.date.issued2016en_US
dc.identifierhttps://doi.org/10.13016/M2W827
dc.identifier.urihttp://hdl.handle.net/1903/19084
dc.description.abstractThe high operating temperatures in solid oxide fuel cells (SOFC) result in high cost, reduced longevity, and decreased efficiency impeding the wide application of this technology. Lowering the temperature of SOFC requires electrolytes with high ionic conductivity at lower temperatures. Stabilized δ-Bi2O3 electrolytes have high oxygen ionic conductivity, but its activation energy of ionic conduction increases below ~600°C due to the anion lattice ordering. We performed first principles computation to study this order-disorder transition in various dopant stabilized δ-Bi2O3 electrolytes. Using first principles computation, we predicted alternative dopants to lower the transition temperature of this material for future applications in SOFCs.en_US
dc.language.isoenen_US
dc.titleFirst Principles Computation Study and Design of δ-Bi2O3 Oxygen Ionic Conductorsen_US
dc.typeThesisen_US
dc.contributor.publisherDigital Repository at the University of Marylanden_US
dc.contributor.publisherUniversity of Maryland (College Park, Md.)en_US
dc.contributor.departmentMaterial Science and Engineeringen_US
dc.subject.pqcontrolledMaterials Scienceen_US
dc.subject.pquncontrolledBismuth Oxideen_US


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