Structure and Surface Relaxation of CeO₂ Nanoparticles Unveiled by Combining Real and Reciprocal Space Total Scattering Analysis.

ABSTRACT: We present a combined real and reciprocal space structural and microstructural characterization of CeO₂ nanoparticles (NPs) exhibiting different crystallite sizes; ~3 nm CeO₂ NPs were produced by an inverse micellae wet synthetic path and then annealed at different temperatures. X-ray total scattering data were analyzed by combining real-space-based Pair Distribution Function analysis and the reciprocal-space-based Debye Scattering Equation method with atomistic models. Subtle atomic-scale relaxations occur at the nanocrystal surface. The structural analysis was corroborated by ab initio DFT and force field calculations; micro-Raman and electron spin resonance added important insights to the NPs' defective structure. The combination of the above techniques suggests a

SUBMITTER: Scavini M 

PROVIDER: S-EPMC9565251 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature