Understanding the size effects on the electronic structure of ThO2 nanoparticles
Understanding the size effects on the electronic structure of ThO2 nanoparticles
Amidani, L.; Plakhova, T. V.; Romanchuk, A. Y.; Gerber, E.; Weiss, S.; Efimenko, A.; Sahle, C. J.; Butorin, S. M.; Kalmykovc, S. N.; Kvashnina, K. O.
Developing characterization techniques and analysis methods adapted to the investigation of nanoparticles (NPs) is of fundamental importance considering the role of these materials in many fields of research. The study of actinide based NPs, despite their environmental relevance, is still underdeveloped compared to that of NPs based on stable and lighter elements. We present here an investigation of ThO2 NPs performed with High-Energy Resolution Fluorescence Detected (HERFD) X-ray Absorption Near-Edge Structure (XANES) and with ab initio XANES simulations. Structural models of ThO2 NPs with sharp edges and corners reproduce the size effect observed in experimental data. Inspection of the simulations from Th atoms in the core and on the surface of the NP indeed demonstrates that the origin of the effect is the lowering of the number of coordinating atoms for Th at the surface of the NP. The sensitivity of HERFD XANES to the less coordinated atoms at the surface may be exploited to investigate surface interactions.
Involved research facilities
- Rossendorf Beamline at ESRF DOI: 10.1107/S1600577520014265
Related publications
- DOI: 10.1107/S1600577520014265 is cited by this (Id 28968) publication
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Physical Chemistry Chemical Physics 21(2019)20, 10635-10643
Online First (2019) DOI: 10.1039/C9CP01283D
Cited 19 times in Scopus
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