Remarkable selective analysis of biomolecules i.e., glucose and ascorbic acid on copper oxide facets was reported for the first time. The copper oxide nanostructures were synthesized using different Cu-ions sources i.e., CuCl₂ and CuSO₄ by utilizing the hydrothermal method, which congregates in flower and hollow sphere morphologies, respectively. Interestingly, the results showed a comparable sensitivity and selectivity of CuO nanostructures toward glucose and ascorbic acid. To provide a deep understanding of the key factors that predominate the efficiency and selectivity of nanostructured CuO toward these biomolecules, density functional theory (DFT) calculations were accomplished. Five different crystal facets including (002), (200), (202), (111), and (110) were considered and their binding energies with the biomolecules were investigated. It was found that the facets with rich Cu or O atoms might control the selectivity toward glucose and ascorbic acid. This approach will be helpful for designing sensitive and selective targeted nanomaterial-based sensors.

中文翻译：

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通过形态定制的CuO纳米结构选择性监测生物分子的卓越方面

首次报道了在氧化铜面上对生物分子即葡萄糖和抗坏血酸的显着选择性分析。使用不同的Cu离子源（即CuCl ₂和CuSO _4）合成了氧化铜纳米结构通过利用水热法，分别聚集在花朵和空心球的形态。有趣的是，结果表明，CuO纳米结构对葡萄糖和抗坏血酸具有相当的敏感性和选择性。为了深入了解主导纳米结构CuO对这些生物分子的效率和选择性的关键因素，完成了密度泛函理论（DFT）计算。考虑了五个不同的晶面，包括（002），（200），（202），（111）和（110），并研究了它们与生物分子的结合能。发现具有丰富的Cu或O原子的小面可以控制对葡萄糖和抗坏血酸的选择性。这种方法将有助于设计敏感和选择性针对性的基于纳米材料的传感器。