In this work, Urtica Dioica (nettles) extract, which contains a variety of organic molecules with N, O and S heteroatoms, was added to provide green corrosion inhibition for carbon steel reinforcements in chloride-polluted (1% NaCl) simulated concrete pore solution. This specific extract had not been previously tested in high alkaline (pH 13.6) solutions. A global analysis was carried out, including electrochemical testing (to assess the inhibition ability of the extract), surface analysis (to check for the presence of organic molecules on the steel surface) and density-functional theory (DFT) quantum chemical calculations (to compute the absorption of inhibitor components on steel exposed to pH 13.6). After 24 h and determined with electrochemical spectroscopy test (EIS), the most efficient dosage (0.075%) of nettles showed that charge transfer resistance (R_ct) values for ribbed steel were 4.3 times higher than in non-inhibited solutions, providing an inhibition efficiency of 77%. A similar reduction was determined for current density values from polarization tests. Analysis of the specimen after dipping it in the inhibited alkaline electrolyte via Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) revealed the surface adsorption of organic molecules in the nettles extract and their contribution to reinforcing the oxide/hydroxide layer. Moreover, the semi-quantitative carbon amount inside the pits is 9 times higher than on the steel surface. DFT ab-initio calculations indicate that the Urtica Dioica extract can be adsorbed at the Fe₂O₃ surface with a charge transfer of about −0.028–0.23 e due to binding of N- and O- containing adsorbates. All results suggest the presence of organic molecules related to the nettles extract on steel surfaces under those tested solutions. The nettles extract is able to precipitate on the pits, hindering the development of the anodic reactions. The inhibition efficiency of nettles, their worldwide availability and their environmentally-friendly nature, combined with the readily manufactured extract all point to promising application in this field.

在这项工作中，添加了含有多种具有 N、O 和 S 杂原子的有机分子的荨麻提取物，为碳钢提供绿色缓蚀剂氯化物污染（1% NaCl）模拟混凝土孔隙溶液中的增强材料。这种特定的提取物以前没有在高碱性 (pH 13.6) 溶液中进行过测试。进行了全局分析，包括电化学测试（评估提取物的抑制能力）、表面分析（检查钢表面是否存在有机分子）和密度泛函理论 (DFT) 量子化学计算（评估计算暴露于 pH 值 13.6 的钢对抑制剂组分的吸收）。24 h 后，通过电化学光谱测试 (EIS) 测定，荨麻的最有效剂量 (0.075%) 表明电荷转移电阻 ( R_ct) 带肋钢的值是非抑制溶液的 4.3 倍，抑制效率为 77%。来自极化测试的电流密度值也有类似的降低。通过傅里叶变换红外光谱 (FTIR)、扫描电子显微镜 (SEM) 和 X 射线光电子能谱 (XPS) 对浸入抑制碱性电解液中的样品进行分析，揭示了荨麻提取物中有机分子的表面吸附及其贡献以加强氧化物/氢氧化物层。而且，凹坑内的半定量碳含量是钢表面的9倍。DFT ab-initio 计算表明荨麻提取物可以吸附在 Fe ₂ O_{由于含有 N 和 O 的吸附物的结合， 3}表面的电荷转移约为 -0.028–0.23 e。所有结果都表明，在这些测试溶液下，钢表面上存在与荨麻提取物相关的有机分子。荨麻提取物能够在凹坑上沉淀，阻碍阳极反应的发展。荨麻的抑制效率、它们在全球范围内的可用性及其对环境友好的性质，再加上易于制造的提取物，都表明在该领域具有广阔的应用前景。