Near Surface Stoichiometry in UO2: A Density Functional Theory Study

The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near...

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Bibliographic Details
Main Authors: Jianguo Yu, Billy Valderrama, Hunter B. Henderson, Michele V. Manuel, Todd Allen
Format: Article
Language:English
Published: Hindawi Limited 2015-01-01
Series:Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2015/142510