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DFT + U Study of the Adsorption and Dissociation of Water on Clean, Defective, and Oxygen-Covered U(3)Si(2){001}, {110}, and {111} Surfaces
[Image: see text] The interfacial interaction of U(3)Si(2) with water leads to corrosion of nuclear fuels, which affects various processes in the nuclear fuel cycle. However, the mechanism and molecular-level insights into the early oxidation process of U(3)Si(2) surfaces in the presence of water an...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7011762/ https://www.ncbi.nlm.nih.gov/pubmed/32064013 http://dx.doi.org/10.1021/acs.jpcc.9b03076 |