A computational study of yttria-stabilized zirconia: I. Using crystal chemistry to search for the ground state on a glassy energy landscape

Yttria-stabilized zirconia (YSZ), a ZrO₂-Y₂O₃ solid solution that contains a large population of oxygen vacancies, is widely used in energy and industrial applications. Past computational studies correctly predicted the anion diffusivity but not the cation diffusivity, which is important for materia...

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Bibliographic Details
Main Authors: Dong, Yanhao (Author), Qi, Liang (Author), Li, Ju (Author), Chen, I-Wei (Author)
Other Authors: Massachusetts Institute of Technology. Department of Nuclear Science and Engineering (Contributor), Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor)
Format: Article
Language:English
Published: Elsevier BV, 2020-09-08T14:50:09Z.
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