First-principles explorations of the universal picture of oxide layer structure over metallic plutonium
| Autor: | Bingyun Ao, Ruizhi Qiu |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Materials science
020209 energy General Chemical Engineering Oxide Structure (category theory) chemistry.chemical_element 02 engineering and technology General Chemistry 021001 nanoscience & nanotechnology Corrosion Plutonium Metal chemistry.chemical_compound chemistry Chemical physics Homogeneous visual_art 0202 electrical engineering electronic engineering information engineering visual_art.visual_art_medium General Materials Science 0210 nano-technology Layer (electronics) |
| Zdroj: | Corrosion Science. 153:236-248 |
| ISSN: | 0010-938X |
| Popis: | The oxide layer structure over Pu is the central issue of Pu corrosion science; however, the widely discussed sandwich-like structure (Pu//Pu2O3//PuO2) might be just a phenomenological description. Here we perform first-principles calculations with the method verification on Ce oxides, the ideal analogues of Pu oxides, to establish a universal picture of Pu oxide layer structure. The results show that homogeneous PunO2n-2 between PuO2 and Pu2O3 are energetically more favorable than PuO2-x with ordered arrays of oxygen vacancies. Thus, a ladder-like oxide layer structure is proposed to improve a simple sandwich-like model of the Pu oxide layers. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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