Pure and sulfur doped CuBO 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 CuBO 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 CuBO 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 CuBO enhanced from 3.15 × 10 s-cm to 8.13 × 10 s-cm due to sulfur doping.

中文翻译：

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通过掺入硫来增强 CuBO2 的直流电导率

纯铜和硫掺杂的 CuBO 样品的制备旨在提高新型铜铁矿的导电性。通过基于第一原理的研究从理论上预测了电导率增强的可能性。用电负性较小的元素有效替代 CuBO 中的氧可以导致 sp 键电子的更高迁移率。这又可以增强掺杂铜铁矿的电导率。所有样品均通过化学途径制备，其晶相纯度通过 X 射线衍射 (XRD) 研究证实。使用场增强扫描电子显微镜（FESEM）研究样品的形貌。通过 X 射线光电子能谱 (XPS) 证实了主体 CuBO 体系中硫的掺入。最后，研究了所有样品在暗光和紫外线照射下的电导率相关特性，观察到由于硫掺杂，CuBO 的电导率从 3.15 × 10 s-cm 提高到 8.13 × 10 s-cm。