Adsorption behavior and corrosion inhibition performance of tetrazolium derivatives on electrolytic copper foil surface

腐蚀 吸附 电解质 电化学 化学 化学吸附 无机化学 铬酸盐转化膜 缓蚀剂 箔法 材料科学 电极 有机化学 复合材料 物理化学
作者
Qi Zhao,Wei Li,Ning Li,Bo Wu,Pan Guo,Qing Cheng,Qiao Ding,Xinchen Han,Yangsheng Xu,Deyu Li
出处
期刊:Journal of Molecular Liquids [Elsevier]
卷期号:397: 124079-124079
标识
DOI:10.1016/j.molliq.2024.124079
摘要

The development of chromate-based post-treatment methods has been limited mainly due to their toxicity, thus it is essential to explore environmentally friendly corrosion inhibitors for electrolytic copper foil. Herein, we evaluated three tetrazolium compounds (tetrazolium, 5-methyl-tetrazolium, and 5-amino-tetrazolium) as potential corrosion inhibitors for electrolytic copper foil, and explored their adsorption behavior onto the copper foil surface and their efficiency in inhibiting corrosion when exposed to a 3.5 wt% NaCl solution. Density functional theory calculations provide insights into the relationship between the molecular structure of the inhibitors and their corrosion inhibition efficiency. Furthermore, molecular dynamics simulations elucidate the adsorption behavior of these inhibitors on copper surfaces under solvation conditions. Notably, the 5-amino-tetrazolium molecule exhibits the most stable chemisorption on the Cu(1 1 1) surface. Finally, both electrochemical tests and antioxidation experiments confirm that ATZ is the most effective corrosion inhibitor with a corrosion inhibition efficiency (η) of 93.09%, consistent with theoretical predictions. This study highlights the potential application of the tetrazolium derivative 5-amino-tetrazolium in environmentally friendly and chromium-free post-treatment of electrolytic copper foil surfaces.
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