2025/01/06 by Jiří Houška, Stanislav Haviar, Houska, Jiri +11
Engineering · Materials Science · #FOS: Physical sciences #Gas Sensing Nanomaterials and Sensors #Materials Science (cond-mat.mtrl-sci) #Polyoxometalates: Synthesis and Applications #Transition Metal Oxide Nanomaterials
paper · pdf · doi:10.48550/arxiv.2501.03036
openalex publication_date 2025/01/06 · openalex created_date 2025/01/08 · openalex updated_date 2026/07/28
In the context of our efforts to develop hydrogen gas sensors, two samples of ternary CuWO4 with the same crystalline structure have been prepared by two different non-equilibrium techniques. We show that the materials' structure is significantly different from the known stable one, and we identify that it is very similar to that of previously reported γ-CuMoO4. We use ab initio calculations to confirm that the newly identified phase, γ-CuWO4, represents a local energy minimum. We present very similar calculated and measured lattice constants and X-ray diffractograms. We make a case that the low-temperature formation of the metastable γ-CuWO4 phase is facilitated by easier kinetics and/or by Cu-rich composition of our samples, and we show that it converts to the stable phase after annealing to 600 °C.