Density Functional Theory plus Hubbard U Study of the Segregation of Pt to the CeO<sub>2- x</sub> Grain Boundary.

Density Functional Theory plus Hubbard U Study of the Segregation of Pt to the CeO_{2- x} Grain Boundary.

Zhou, Guoli; Li, Pan; Ma, Qingmin; Tian, Zhixue; Liu, Ying.

Afiliación

Liu Y; State Key Lab of Nonferrous Metals & Processes , General Research Institute for Nonferrous Metal , Beijing 100088 , China.

Nano Lett ; 18(3): 1668-1677, 2018 03 14.

Article en En | MEDLINE | ID: mdl-29446958

Palabras clave

Grain boundaries; first-principles calculations; magnetism; oxygen vacancies; segregation

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Nano Lett Año: 2018 Tipo del documento: Article

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Nano Lett Año: 2018 Tipo del documento: Article