Gadolinium-Vacancy Clusters in the (111) Surface of Gadolinium-Doped Ceria: A Density Functional Theory Study
نویسندگان
چکیده
منابع مشابه
Ordered structures of defect clusters in gadolinium-doped ceria.
The nano-domain, with short-range ordered structure, has been widely observed in rare-earth-doped ceria. Atomistic simulation has been employed to investigate the ordering structure of the nano-domain, as a result of aggregation and segregation of dopant cations and the associated oxygen vacancies in gadolinium-doped ceria. It is found that the binding energy of defect cluster increases as a fu...
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ژورنال
عنوان ژورنال: Chemistry of Materials
سال: 2015
ISSN: 0897-4756,1520-5002
DOI: 10.1021/acs.chemmater.5b02861