论文标题
揭示cumo $ _ {1-x} $ w $ _x $ o $ $ _4 $实心解决方案的本地结构
Revealing the local structure of CuMo$_{1-x}$W$_x$O$_4$ solid solutions by multi-edge X-ray absorption spectroscopy
论文作者
论文摘要
用钼替代的钨替代对cumo $ _ {1-x} $ w $ _x $ o $ $ _4 $（$ x $ = 0.20、0.30、0.50、0.50、0.75）实心解决方案的结构的影响。在多个散射效果中，对反向蒙特卡洛方法进行了对几个（Cu k-gede，mo k-gede和w $ _3 $ - 边缘）吸收边缘测量的EXAFS光谱的同时分析。根据部分径向分布函数（RDFS）$ G（R）$和键角分布函数（BADFS）$ f（φ）$估算了配位壳的失真程度及其对组合物的依赖性。部分RDFS的分析表明，固体溶液的结构主要取决于钨有关的sublattice，而钼原子适应了局部扭曲的环境。结果，钨和钼原子的协调仍然是八面体的，如所有研究的构图中的cuwo $ _4 $。
The effect of tungsten substitution with molybdenum on the structure of CuMo$_{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.
