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解析VO·HO和钼取代的VO·HO的结构。

Resolving the structure of VO·HO and Mo-substituted VO·HO.

作者信息

Schoiber Jürgen, Söllinger Daniela, Baran Volodymyr, Diemant Thomas, Redhammer Günther J, Behm R Jurgen, Pokrant Simone

机构信息

Chemistry and Physics of Materials, University of Salzburg, Jakob-Haringer-Straße 2a, Salzburg 5020, Austria.

Maier-Leibnitz Zentrum MLZ Forschungsreaktor Munchen FRM-II, Lichtenbergstr. 1, Garching, Bavaria 85748, Germany.

出版信息

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2022 Aug 1;78(Pt 4):637-642. doi: 10.1107/S2052520622006473. Epub 2022 Jul 13.

DOI:10.1107/S2052520622006473
PMID:35975830
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9370211/
Abstract

Vanadate compounds, such as VO·HO, are of high interest due to their versatile applications as electrode material for metal-ion batteries. In particular, VO·HO can insert different ions such as Li, Na, K, Mg and Zn. In that case, well resolved crystal structure data, such as crystal unit-cell parameters and atom positions, are needed in order to determine the structural information of the inserted ions in the VO·HO structure. In this work, fundamental crystallographic parameters, i.e. atomic displacement parameters, are determined for the atoms in the VO·HO structure. Furthermore, vanadium ions were substituted by molybdenum in the VO·HO structure [(VMo)O·HO] and the crystallographic positions of the molybdenum ions and their oxidation state are elucidated.

摘要

钒酸盐化合物，如VO·HO，因其作为金属离子电池电极材料的广泛应用而备受关注。特别是，VO·HO可以插入不同的离子，如Li、Na、K、Mg和Zn。在这种情况下，需要精确解析的晶体结构数据，如晶体单胞参数和原子位置，以确定VO·HO结构中插入离子的结构信息。在这项工作中，确定了VO·HO结构中原子的基本晶体学参数，即原子位移参数。此外，在VO·HO结构[(VMo)O·HO]中用钼取代钒离子，并阐明了钼离子的晶体学位置及其氧化态。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/f9a9ccfe3dbe/b-78-00637-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/9ba114e01ba6/b-78-00637-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/17ba831d72b8/b-78-00637-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/0dc99cf9027b/b-78-00637-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/8e43aafa7841/b-78-00637-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/f9a9ccfe3dbe/b-78-00637-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/9ba114e01ba6/b-78-00637-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/17ba831d72b8/b-78-00637-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/0dc99cf9027b/b-78-00637-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/8e43aafa7841/b-78-00637-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f946/9370211/f9a9ccfe3dbe/b-78-00637-fig5.jpg

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