Characteristics of chemical bonding of ...
Document type :
Article dans une revue scientifique
DOI :
Permalink :
Title :
Characteristics of chemical bonding of pentavalent uranium in La-doped UO2
Author(s) :
Butorin, Sergei M. [Auteur]
Kvashnina, Kristina O. [Auteur]
Prieur, Damien [Auteur]
Rivenet, Murielle [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Martin, Philippe M. [Auteur]
Kvashnina, Kristina O. [Auteur]
Prieur, Damien [Auteur]
Rivenet, Murielle [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Martin, Philippe M. [Auteur]
Journal title :
Chemical Communications
Volume number :
53
Pages :
115-118
Publication date :
2017-11-15
HAL domain(s) :
Chimie/Matériaux
English abstract : [en]
The effect of La doping on the electronic structure of U in UO2 was studied using an advanced technique, namely, X-ray absorption spectroscopy (XAS) in the high-energy-resolution fluorescence-detection (HERFD) mode, at the ...
Show more >The effect of La doping on the electronic structure of U in UO2 was studied using an advanced technique, namely, X-ray absorption spectroscopy (XAS) in the high-energy-resolution fluorescence-detection (HERFD) mode, at the U 3d3/2 (M4) edge. Thanks to a significant reduction of the core–hole lifetime broadening and distinct chemical shifts of the HERFD-XAS lines, the U(V) formation as a result of La doping was identified. The isolated contribution of U(V) in the M4 HERFD-XAS spectrum reveals the so-called charge-transfer satellites due to the U 5f–O 2p hybridization. The analysis of the experimental data within the framework of the Anderson impurity model (AIM) indicates a significant change in the characteristics and degree of covalency for the chemical bonding in the U(V) subsystem of UO2 as compared to undoped UO2, which is a Mott–Hubbard system. The results are also supported by AIM calculations of X-ray photoelectron and optical absorption data.Show less >
Show more >The effect of La doping on the electronic structure of U in UO2 was studied using an advanced technique, namely, X-ray absorption spectroscopy (XAS) in the high-energy-resolution fluorescence-detection (HERFD) mode, at the U 3d3/2 (M4) edge. Thanks to a significant reduction of the core–hole lifetime broadening and distinct chemical shifts of the HERFD-XAS lines, the U(V) formation as a result of La doping was identified. The isolated contribution of U(V) in the M4 HERFD-XAS spectrum reveals the so-called charge-transfer satellites due to the U 5f–O 2p hybridization. The analysis of the experimental data within the framework of the Anderson impurity model (AIM) indicates a significant change in the characteristics and degree of covalency for the chemical bonding in the U(V) subsystem of UO2 as compared to undoped UO2, which is a Mott–Hubbard system. The results are also supported by AIM calculations of X-ray photoelectron and optical absorption data.Show less >
Language :
Anglais
Audience :
Internationale
Popular science :
Non
Administrative institution(s) :
ENSCL
CNRS
Centrale Lille
Univ. Artois
Université de Lille
CNRS
Centrale Lille
Univ. Artois
Université de Lille
Collections :
Research team(s) :
Chimie, matériaux et procédés pour un nucléaire durable (CIMEND)
Submission date :
2019-09-25T14:06:07Z