In the current study, Ag/NiO nanocomposite performance, antibacterial properties, and in-silico theoretical method were examined utilizing Withania somnifera leaf extract. The ultraviolet–visible spectra showed distinct absorption peaks at 295 and 423 nm, confirming the presence of Ag and NiO. Morphological studies (scanning electron microscopy and high-resolution transmission electron microscopy) revealed mingled hexagonal and spherical structure, and energy-dispersive X-ray spectroscopy showed elemental composition of Ag/NiO. The crystal structure of Ag/NiO was confirmed by X-ray diffraction analysis and structural parameters were studied through Rietveld refinement analysis. Fourier transform infrared spectroscopy identified alkaloids as the main compounds responsible for the reduction of Ag and NiO. The occurrence of Ag, Ni, and O with compressed phytochemicals was identified using X-ray photoelectron spectrometry. The electrochemical performance and antimicrobial activities of Ag/NiO were investigated. The as-prepared Ag/NiO electrode exhibited specific capacitance of 872 F/g at a scan rate of 5 mV/s and revealed good cyclic retention of about 89.2 % even after 5000 cycles. Furthermore, admirable electrochemical properties of Ag/NiO provided an asymmetrical supercapacitor device with energy density of 46 Wh/kg and power density of 3501 W/kg. This indicates good prospects for utilization of biomass-derivable electrode material for energy storage applications. In addition, Ag/NiO had significant inhibitory effects (zone of inhibition: 15.4 mm, minimum inhibitory concentration: 12.5 μg/mL) against the human pathogen Klebsiella pneumoniae. The high probability of antibacterial action of the obtained complex was theoretically studied and the results correlated with experimental study.

在当前的研究中，利用睡茄叶提取物检查了 Ag/NiO 纳米复合材料的性能、抗菌特性和计算机理论方法。紫外-可见光谱在 295 和 423 nm 处显示出明显的吸收峰，证实了 Ag 和 NiO 的存在。形态学研究（扫描电子显微镜和高分辨率透射电子显微镜）揭示了混合的六方和球形结构，能量色散 X 射线光谱显示了 Ag/NiO 的元素组成。通过X射线衍射分析证实了Ag/NiO的晶体结构，并通过Rietveld精修分析研究了结构参数。傅里叶变换红外光谱确定生物碱是还原 Ag 和 NiO 的主要化合物。使用 X 射线光电子能谱法鉴定了压缩植物化学物质中 Ag、Ni 和 O 的存在。研究了Ag/NiO的电化学性能和抗菌活性。所制备的 Ag/NiO 电极在 5 mV/s 的扫描速率下表现出 872 F/g 的比电容，并且即使在 5000 次循环后也显示出约 89.2% 的良好循环保留率。此外，Ag/NiO优异的电化学性能提供了能量密度为46 Wh/kg、功率密度为3501 W/kg的非对称超级电容器装置。这表明生物质衍生电极材料在储能应用方面具有良好的前景。此外，Ag/NiO对人类病原体肺炎克雷伯菌具有显着的抑制作用（抑菌圈：15.4 mm，最低抑菌浓度：12.5 μg/mL ）。对所获得的复合物的高抗菌作用概率进行了理论研究，并将结果与​​实验研究相关联。