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DOE OSTI · 2574852

Primitive Cubic Cation-Disordered Niobium Tungsten Oxides

Raji-Adefila, Basirat [University of New Mexico, Albuquerque, NM (United States)] (ORCID:0000000231013723)·Wang, You [University of New Mexico, Albuquerque, NM (United States)]·Yue, Junming [South Dakota School of Mines & Technology, Rapid City, SD (United States)]·Nordlund, Dennis [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)]·Zhou, Shan [South Dakota School of Mines & Technology, Rapid City, SD (United States)] (ORCID:0000000264763280)·Chen, Dongchang [University of New Mexico, Albuquerque, NM (United States)] (ORCID:0000000226548176)
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Abstract

In recent years, metastable cation-disordered oxides have had a significant impact on both fundamental and application-driven materials science research. Along this direction, developing new and simple structural types that can accommodate cation disorder at the same crystallographic site has yet to receive extensive research focus. In this work, we use niobium tungsten oxides (NbWOs), a series of materials encompassing diverse structural features, as a material platform to explore new cation-disordered structural types. Relying on mechanochemistry, we realized primitive cubic cation-disordered NbWOs with a ReO 3 -type structure, featuring unique electronic and vibrational properties. Furthermore, when applied as a Li-ion battery anode, the materials undergo a unique perovskite-rock salt structural change mechanism, different from that of complex ordered NbWOs. All these advancements suggest a rich opportunity in developing other new material structural types and realizing new material properties based on the methodology of the work.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYBatteryCation disorderCationsCrystal structureDiffractionMaterialsNiobium tungsten oxidesOxidesReO3 structureSolid-state chemistrySolid-state spectroscopy

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Raji-Adefila, Basirat [University of New Mexico, Albuquerque, NM (United States)] (ORCID:0000000231013723), Wang, You [University of New Mexico, Albuquerque, NM (United States)], Yue, Junming [South Dakota School of Mines & Technology, Rapid City, SD (United States)], Nordlund, Dennis [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)], Zhou, Shan [South Dakota School of Mines & Technology, Rapid City, SD (United States)] (ORCID:0000000264763280), Chen, Dongchang [University of New Mexico, Albuquerque, NM (United States)] (ORCID:0000000226548176). 2025-07-03. Primitive Cubic Cation-Disordered Niobium Tungsten Oxides. https://doi.org/10.1021/jacsau.5c00359

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