Enhancement of DC conductivity of CuBO2 by incorporation of sulfur

Solid State Sciences(2024)

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摘要
Pure and sulfur doped CuBO2 samples were prepared targeting enhanced conductivity in the novel delafossite. The probability of enhanced conductivity was theoretically predicted via first principle-based studies. Effective replacement of oxygen in CuBO2 with a less electronegative element could lead to higher mobility of s-p bonding electrons. This may in turn enhance the conductivity of the doped delafossite. All samples were prepared via chemical route and their crystalline phase purity was confirmed by x-ray diffraction (XRD) studies. The morphologies of the samples were studied using field enhanced scanning electron microscope (FESEM). The incorporation of sulfur in the host CuBO2 system was confirmed via x-ray photoelectron spectroscopy (XPS). Finally, all samples were studied for their conductivity related properties under dark and UV irradiation, it was observed that conductivity of CuBO2 enhanced from 3.15 × 10−8 s-cm−1 to 8.13 × 10−7 s-cm−1 due to sulfur doping.
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关键词
Delafossite,CuBO2,Doping,Conductivity,DFT
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