Effective coordination numbers from EXAFS: general approaches for lanthanide and actinide dioxides.

Abstract

Extended X-ray absorption fine structure (EXAFS) is a comprehensive and usable method for characterizing the structures of various materials, including radioactive and nuclear materials. Unceasing discussions about the interpretation of EXAFS results for actinide nanoparticles (NPs) or colloids were still present during the last decade. In this study, new experimental data for PuO₂ and CeO₂ NPs with different average sizes were compared with published data on AnO₂ NPs that highlight the best fit and interpretation of the structural data. In terms of the structure, PuO₂, CeO₂, ThO₂, and UO₂ NPs exhibit similar behaviors. Only ThO₂ NPs have a more disordered and even partly amorphous structure, which results in EXAFS characteristics. The proposed new core-shell model for NPs with calculated effective coordination number perfectly fits the results of the variations in a metal-metal shell with a decrease in NP size.