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

dc.contributor.advisor	Mo, Yifei	en_US
dc.contributor.author	MacBride, Jonathon Kaine	en_US
dc.contributor.department	Material Science and Engineering	en_US
dc.contributor.publisher	Digital Repository at the University of Maryland	en_US
dc.contributor.publisher	University of Maryland (College Park, Md.)	en_US
dc.date.accessioned	2017-01-25T06:38:54Z
dc.date.available	2017-01-25T06:38:54Z
dc.date.issued	2016	en_US
dc.description.abstract	The 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.identifier	https://doi.org/10.13016/M2W827
dc.identifier.uri	http://hdl.handle.net/1903/19084
dc.language.iso	en	en_US
dc.subject.pqcontrolled	Materials Science	en_US
dc.subject.pquncontrolled	Bismuth Oxide	en_US
dc.title	First Principles Computation Study and Design of δ-Bi2O3 Oxygen Ionic Conductors	en_US
dc.type	Thesis	en_US

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