Abstract The adsorptive behavior of Urtica Dioica (U.D) leaf extract on the graphene oxide nanosheets (GONs) was examined by experimental and density functional theory (DFT) approaches. Experimental results demonstrated the strengthened adsorption of the Urtica Dioica leaf extract on the GO sheets at acidic pH of 2, leading to the corrosion inhibition of mild steel in chloride solution. It was observed that the inhibition effects of GO-U.D sheets enhanced in the presence of Zn 2+ cations in solution and coating phases. The DFT results revealed the physisorption and chemisorption of inhibitors onto GO surfaces.

中文翻译：

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由绿色缓蚀化合物功能化的氧化石墨烯纳米片的合成以制造保护系统

摘要 通过实验和密度泛函理论 (DFT) 方法研究了荨麻 (UD) 叶提取物在氧化石墨烯纳米片 (GON) 上的吸附行为。实验结果表明，在酸性 pH 值为 2 时，荨麻叶提取物在 GO 片上的吸附作用增强，导致低碳钢在氯化物溶液中的腐蚀抑制。据观察，在溶液和涂层相中存在 Zn 2+ 阳离子时，GO-UD 片的抑制作用增强。DFT 结果揭示了抑制剂在 GO 表面的物理吸附和化学吸附。