理解BaNbWO中氧离子迁移率与位点分布之间的相关性。
Understanding the Correlation between Oxide Ion Mobility and Site Distributions in BaNbWO.
作者信息
Auckett Josie E, Gutmann Matthias J, Evans Ivana Radosavljevic
机构信息
Department of Chemistry, Durham University, South Road, Durham DH1 3LE, United Kingdom.
Rutherford Appleton Laboratory, ISIS Facility, Chilton Didcot, Oxfordshire OX11 0QX, United Kingdom.
出版信息
Inorg Chem. 2020 Oct 5;59(19):14245-14250. doi: 10.1021/acs.inorgchem.0c02035. Epub 2020 Sep 24.
A correlation between oxygen site distributions and ionic conductivity has been established in the recently discovered family of oxide-ion conductors BaO (M = Nb, V, Mo, W). We rationalize this observation on the basis of structural insights gained from the first single-crystal neutron diffraction data collected for a member of this family, BaNbWO, and theoretical considerations of bonding and O site energies.
在最近发现的氧化物离子导体BaO（M = Nb、V、Mo、W）族中，已经建立了氧位点分布与离子电导率之间的相关性。我们基于从该族成员BaNbWO的首个单晶中子衍射数据获得的结构见解，以及键合和氧位点能量的理论考虑，对这一观察结果进行了合理的解释。
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