Dekshinamoorthy Amuthan, Samal Pragnya Paramita, Krishnamurty Sailaja, Khatri Praveen K, Jain Suman Lata, Ray Anjan, Vijayaraghavan Saranyan
Corrosion and Materials Protection Division, CSIR-Electrochemical Research Institute, Karaikudi 630003, India.
Academy of Scientific and Innovative Research (AcSIR), Ghaziabad-201002, India.
Langmuir. 2023 Dec 5;39(48):17295-17307. doi: 10.1021/acs.langmuir.3c02393. Epub 2023 Nov 21.
The current study highlights the successful integration of an in silico design with experimental validation to create a highly effective corrosion inhibitor for copper (Cu) surfaces. The synthesized sulfonated zinc phthalocyanine (Zn-Pc) is electrochemically characterized and demonstrates an impressive 97% inhibition efficiency, comparable to the widely used industrial corrosion inhibitor, BTA, for Cu surfaces. The corrosion inhibition is comprehensively analyzed through potentiodynamic polarization and impedance spectroscopy techniques, supported by their respective equivalent circuits. Furthermore, the sample undergoes thorough characterization using scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, contact angle measurements, and atomic force microscopy. Density functional theory calculations reveal that sulfonated Zn-Pc exhibits the highest interaction energy, underscoring its exceptional inhibition properties. These results open possibilities for utilizing computational methods to design and optimize corrosion inhibitors for protection of Cu surfaces.
当前的研究突出了将计算机辅助设计与实验验证成功结合，以创建一种用于铜（Cu）表面的高效腐蚀抑制剂。合成的磺化锌酞菁（Zn-Pc）经过电化学表征，显示出高达97%的令人印象深刻的抑制效率，与广泛使用的工业腐蚀抑制剂苯并三唑（BTA）对铜表面的抑制效率相当。通过动电位极化和阻抗谱技术，并借助各自的等效电路，对腐蚀抑制进行了全面分析。此外，使用扫描电子显微镜、能量色散X射线分析、X射线光电子能谱、接触角测量和原子力显微镜对样品进行了全面表征。密度泛函理论计算表明，磺化Zn-Pc表现出最高的相互作用能，突出了其卓越的抑制性能。这些结果为利用计算方法设计和优化用于保护铜表面的腐蚀抑制剂开辟了可能性。
