02608nas a2200253   4500008004100000022001400041245013800055210006900193260000900262300001100271490000800282520169600290653001901986653002502005653001602030653001402046653002802060100002902088700002902117700002702146700002902173700002602202856012602228       2022                        eng d  a0927-775700aFree base phthalocyanine coating as a superior corrosion inhibitor for copper surfaces: a combined experimental and theoretical study0 aFree base phthalocyanine coating as a superior corrosion inhibit  cSEP   a1291380 v6483 a<p>
	In the quest of novel, eco-benign copper corrosion inhibitors, free base and a set of six metal Phthalocyanine (Pc) coatings (where metal is Zn, Cu, Fe, Co, Ni, Mn) are systematically evaluated for their corrosion inhibition efficiency. The study demonstrates that the free base Phthalocyanine coatings are superior corrosion inhibitors for Cu surface in HCl with a corrosion inhibition efficiency of 88% as compared to its metal counterparts. A detailed and indepth study involving concerted electrochemical polarisation, impedance measurements at various concentrations of HCl assert the superior corrosion inhibition efficiency of free base Pc coatings as compared to its metal counterparts. Underlying factors/interface chemistry contributing to it is brought out using first principle based studies. First principles based computational studies establish that superior corrosion inhibition ability of free base phthalocyanine molecule is attributed to its innate binding ability with copper surface and its better inter-molecular packing. Thus, the theoretical adsorption trends of various studied phthalocyanine molecules while clearly following the experimental corrosion inhibition efficiency trends undermine the importance of contribution of chelating factors for the formation of a stable and efficient corrosion inhibition coating on a surface and that the adhesion/adsorption strength of a molecule correlates directly to its corrosion inhibition efficiency. The experimental observations are further substantiated through FE-SEM, EDAX and XPS studies. The corrosion inhibition efficiency of free base phthalocyanine is followed by its zinc based counterpart at 85%.</p>
10aCopper surface10aCorrosion inhibitors10aDFT studies10aImpedance10aPhthalocyanine coatings1 aSamal, Pragnya, Paramita1 aDekshinamoorthy, Amuthan1 aArunachalam, Shivakami1 aVijayaraghavan, Saranyan1 aKrishnamurty, Sailaja  uhttps://library.ncl.res.in/content/free-base-phthalocyanine-coating-superior-corrosion-inhibitor-copper-surfaces-combined01988nas a2200217   4500008004100000022001400041245017200055210006900227260000900296300001600305490000700321520113700328100002901465700002901494700002601523700002401549700002201573700001501595700002901610856013101639       2023                        eng d  a0743-746300aSulfonated zinc phthalocyanine coating as an efficient and ecofriendly corrosion inhibitor for copper surfaces: an in silico led design and its experimental validation0 aSulfonated zinc phthalocyanine coating as an efficient and ecofr  cNOV   a17295-173070 v393 a<p>
	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.</p>
1 aDekshinamoorthy, Amuthan1 aSamal, Pragnya, Paramita1 aKrishnamurty, Sailaja1 aKhatri, Praveen, K.1 aJain, Suman, Lata1 aRay, Anjan1 aVijayaraghavan, Saranyan  uhttps://library.ncl.res.in/content/sulfonated-zinc-phthalocyanine-coating-efficient-and-ecofriendly-corrosion-inhibitor-copper