Redox behavior of a low-doped Pr-CeO 2 (111) surface. A DFT+U study
In this work, we investigated the redox behavior (donation and replenishing of oxygen) of a low praseodymium (Pr)-doped CeO 2 (111) surface. We considered a 3.7 at.% Pr doping and performed density functional calculations using the GGA formalism with the ‘U’ correction on Ce(4f) and Pr(4f) orbitals....
Autores principales: | Milberg, B., Juan, A., Irigoyen, B. |
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Formato: | JOUR |
Materias: | |
Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01694332_v401_n_p206_Milberg |
Aporte de: |
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