Revealing the local structure of CuMo$_{1-x}$W$_x$O$_4$ solid solutions by multi-edge X-ray absorption spectroscopy

Inga Pudza; Andris Anspoks; Giuliana Aquilanti; Alexei Kuzmin

doi:10.1016/j.materresbull.2022.111910

paper

Revealing the local structure of CuMo $_{1 - x}$ W $_{x}$ O $_{4}$ solid solutions by multi-edge X-ray absorption spectroscopy

arXiv:2205.13990 · doi:10.1016/j.materresbull.2022.111910

Abstract

The effect of tungsten substitution with molybdenum on the structure of CuMo $_{1 - x}$ W $_{x}$ O $_{4}$ ( $x$ = 0.20, 0.30, 0.50, 0.75) solid solutions was studied by multi-edge X-ray absorption spectroscopy. The simultaneous analysis of EXAFS spectra measured at several (Cu K-edge, Mo K-edge and W L $_{3}$ -edge) absorption edges was performed by the reverse Monte Carlo method taking into account multiple-scattering effects. The degree of distortion of the coordination shells and its dependence on the composition were estimated from partial radial distribution functions (RDFs) $g (r)$ and bond angle distribution functions (BADFs) $f (φ)$ . The analysis of partial RDFs suggests that the structure of solid solutions is mainly determined by the tungsten-related sublattice, while molybdenum atoms adapt to a locally distorted environment. As a result, the coordination of both tungsten and molybdenum atoms remains octahedral as in CuWO $_{4}$ for all the studied compositions.

Revealing the local structure of CuMo1−x​Wx​O4​ solid solutions by multi-edge X-ray absorption spectroscopy

Abstract

References in corpus (3)

Revealing the local structure of CuMo $_{1 - x}$ W $_{x}$ O $_{4}$ solid solutions by multi-edge X-ray absorption spectroscopy