Corrosion Inhibition Of Copper Research Articles

Synthesis and Evaluation of Benzo[1–3]selenadiazole-Isoxazoles as Corrosion Inhibitors for Copper in NaCl: An Integrated Experimental and Theoretical Approach

In this study, we investigate the protective capabilities of two synthetic compounds, 5-methyl-5-(4-methylbenzo[d][1,2,3]selenadiazol-7-yl)-3-phenyl-4,5-dihydro-isoxazole (BHP) and 5-methyl-5-(4-methylbenzo[d][1,2,3]selenadiazol-7-yl)-3-(4-nitrophenyl)-4,5-dihydro-isoxazole (BNP), as corrosion inhibitors for copper in a 3.5wt. % NaCl solution. The chemical structure of these benzo[1,2,3]selenadiazolyl-isoxazole derivatives combines a benzo[1,2,3]selenadiazole core, which to our knowledge has not been previously studied for its anticorrosive activity on copper, with an isoxazole nucleus known in the literature as one of the most effective azoles in preventing copper corrosion. The efficiency and mechanism of copper corrosion inhibition were evaluated through electrochemical, theoretical, and morphological studies. Potentiodynamic polarization (PDP) showed that both BHP and BNP were effective in inhibiting copper corrosion. At 10-3M, BHP showed a maximum inhibition efficiency of 80.24%, while BNP achieved an even higher efficiency of 89.83%. Adsorption behavior analysis indicated that both compounds followed the Langmuir isotherm. In addition, the high value of Kads (103M-1) indicates a strong adsorption capacity of our molecules on the copper surface. The negative adsorption free energy (ΔG°ads=−34.14kJ/mol for BHP and ΔG°ads=−34.00kJ/mol for BNP) indicates a spontaneous adsorption process. Electrochemical impedance spectroscopy (EIS) showed that both compounds formed a thin protective layer on the copper surface, a finding further supported by surface morphology studies using scanning electron microscopy (SEM-EDX) and ATR-FTIR analysis.

Structural dependency of pyridine carboxylic acid isomers in metal-organic coordination adsorption for copper corrosion inhibition

We systematically investigate the adsorption behavior and corrosion inhibition efficacy of pyridine carboxylic acid isomers (Picolinic, Nicotinic, Isonicotinic acids) on Cu films in alkaline conditions. By integrating theoretical analyses, density functional theory (DFT) calculations, and experimental techniques, we demonstrate the underlying mechanisms governing the adsorption affinities and corrosion inhibition properties of these isomers. Our results show that Nicotinic acid exhibits the highest adsorption affinity and corrosion inhibition efficiency on Cu films, attributed to its favorable electronic and steric properties that enhance nucleophilic interaction and electron donation capabilities. On the other hand, Picolinic acid hindered by steric effects shows the lowest adsorption affinity and inhibition efficiency. The electrochemical studies confirm that Nicotinic acid significantly lowers the corrosion current density and enhances the polarization resistance, offering superior protection against corrosion. Furthermore, the chemical and electrochemical interactions between the inhibitors and Cu films are detailed, with insights into the modification of the Cu surface’s electric structure and the formation of protective layers against oxidation. Our research contributes important insights for the development and use of effective corrosion inhibitors for Cu, especially in semiconductor manufacturing and other industries, highlighting the importance of an isomer’s molecular structure in its ability to adsorb and prevent corrosion.

Copper corrosion inhibition in acidic aqueous media through tolyltriazole application: performance analysis

Tolyltriazole (TTA) is recognized as an effective copper corrosion inhibitor in cooling systems due to its low toxicity and versatile properties. With the increasing focus on sustainable development, the employment of compounds of this nature has become increasingly widespread, driving the search for environmentally responsible alternatives. In this context, the aim of this work was to evaluate the efficiency of a corrosion inhibitor formulated with TTA on copper specimens in HCl 0.1 mol L−1 medium. The samples were exposed to the corrosive electrolyte with inhibitor concentrations ranging from 0 to 20 ppm. Electrochemical methods, including open circuit potential, potentiodynamic polarization, and electrochemical impedance spectroscopy were employed for corrosion monitoring. Overall, the results revealed that TTA behaves as a predominantly anodic inhibitor. Additionally, polarization curves demonstrated that within the Tafel region, the inhibitor adsorbs to the copper surface, following the Langmuir isotherm model. Regarding inhibitory effectiveness, the observed values ranged between 81.3 and 96.1%, while morphological analyses indicated the presence of nitrogen on the surface of the copper specimens after electrochemical tests, confirming the formation of a protective TTA film. In conclusion, this study highlights TTA's efficacy as a corrosion inhibitor, demonstrating its significant potential in safeguarding copper against acidic environments.

Detailed DFT/MD simulation, QSAR modeling, electrochemical, and surface morphological studies of self-assembled surfactants as eco-friendly corrosion inhibitors for copper in 1 M HNO3 solution

Three novel self-assembled phenyl pyrazole cationic surfactant derivatives, coded as SA-6, SA-12, and SA-18, were synthesized, structure confirmed, and examined as eco-friendly corrosion inhibitors for Cu in 1 M HNO3 electrolyte using open circuit potential (OCP), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) measurements. The efficacy of these surfactants was pointedly influenced by dosage (5 × 10−5 M − 1 × 10−3 M), attaining a maximum of 90.9 %, 92.9 %, and 94.5 % for SA-6, SA-12, and SA-18, respectively, at 1 × 10−3 M. The fact that the highest shift in corrosion potential (Ecorr) is so minor suggests that the compounds under investigation are inhibitors of the mixed type (anodic/cathodic). The high value of Kads and the negative ΔGadso value (−35.0, −35.8, and −36.8 kJ mol−1) suggests that the SA-6, SA-12, and SA-18 inhibitors have a strong and spontaneous tendency to adsorbed onto the Cu substrate. The development of the self-assembled surfactant defensive film on the Cu substrate was morphologically verified by atomic force microscopy (AFM). The studied self-assembled surfactants adsorbed physically and chemically according to Langmuir isotherm model. Quantitative structure–activity relationship (QSAR) was used to construct the prediction model for SA-6, SA-12, and SA-18′s anti-corrosion properties, while density functional theory (DFT) calculations were used to determine the chemical descriptors linked to the frontier molecular orbitals (FMOs). It was shown that the results of the computational and electrochemical experiments were highly consistent.

Melon seed shell synthesis N, S-carbon quantum dots as ultra-high performance corrosion inhibitors for copper in 0.5 M H2SO4

This work reports on the preparation of N, S-CQDs from melon seed shell, a common household waste that can inhibit the corrosion of copper in a 0.5 M H2SO4 solution. Additionally, by varying the preparation time and preparation temperature, the effects of N, S-CQDs on the capacity of copper to resist corrosion in 0.5 M H2SO4 solution were compared. It was also used to prove its inhibitory effect on copper in 0.5 M H2SO4 solution by a series of test methods. The corrosion inhibition rate of N, S-CQDs was 99.66 % and 99.87 % when the N, S-CQDs prepared at 160 ℃ for 6 h and 200 ℃ for 10 h were added. The results indicate that the corrosion inhibition rate of N, S-CQDs increases with increasing preparation time and temperature. XPS (X-ray photoelectron spectroscopy) and ATR-FTIR (Fourier transform infrared) were used to describe the composition and functional groups adsorbed on the surface of copper. N, S-CQDs' corrosion inhibition property was demonstrated by using an AFM (Atomic force microscope) and SEM (Scanning electron microscopy) to examine the corrosion surface morphology. Using the Langmuir adsorption model, it was found that the corrosion of copper was inhibited by both physical and chemical adsorption. A number of experimental findings demonstrate that preparation temperature and time impact the degree of carbonization, size, and functional group content of the N, S-CQDs, which in turn influences the corrosion inhibition of the N, S-CQDs. By means of heteroatom adsorption and surface structure, N, S-CQDs generate new chemical coordination bonds on the copper surface, thereby forming a protective layer, reducing the interaction between copper and 0.5 M H2SO4 solution, and generating a corrosion inhibition effect.

Study of Glycyrrhiza glabra root extract as green corrosion inhibitor for Copper in Nitric acid.

Study of Glycyrrhiza glabra root extract as green corrosion inhibitor for Copper in Nitric acid.

Comparative studies of tetrazole derivatives on the corrosion inhibition of copper and commercial brass in simulated seawater

The corrosion inhibition of copper and its alloys in seawater using organic inhibitors has received much interest. Electrochemical techniques were used to evaluate the effectiveness of 5-Mercapto-1-methyltetrazole (MTAH) and 5-Aminotetrazole (ATAH) as corrosion inhibitors on copper and commercial brass in simulated seawater with 3.5% NaCl. EDS and SEM techniques were used to investigate the sample surfaces. The results showed that ATAH is more effective than MTAH in both samples, with an inhibition rate of 98% for copper and 86% for brass at a concentration of 0.01 M. Surface investigations reveal that the presence of ATAH has significantly protected the copper and brass surfaces compared to MTAH because of its amino group. According to the Langmuir adsorption isotherm, the inhibitors physicochemically adsorb on the sample surface. On the other hand, the Arrhenius plot showed a considerable jump in the corrosion activation energy when the inhibitor was present, proving the inhibitor’s efficiency in preventing corrosion on copper and brass surfaces.

Exploring sustainable corrosion inhibition of copper in saline environment: An examination of hydroquinazolinones via experimental and ab initio DFT simulations

Copper's potential in various applications is constrained due to environmental degradation, particularly in high-salinity environments, representing a sustainability concern. Herein, two novel hydroquinazolinones, namely 1-((4-hydroxynaphthalen-1-yl)methyl)-2-phenyl-2,3-dihydroquinazolin-4(1H)-one (DQ-H) and 1-((4-hydroxynaphthalen-1-yl)methyl)-2-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one (DQ-CH3), were analyzed for their ability to inhibit copper corrosion in a 3.5 % NaCl solution. The compounds, characterized by 1H and 13C NMR, were evaluated via potentiodynamic polarization curves, electrochemical impedance spectroscopy, and weight loss measurements. Comprehensive analyses utilizing scanning electron microscopy, Fourier Transform Infrared, and UV–vis spectroscopy have revealed insights into the surface morphology and the interactive nature of inhibitor molecules with the copper surface. Our findings highlight the formation of a strong, sustainable inhibitor film on the copper surface due to the addition of hydroquinazolinones, thereby exhibiting an enhanced polarization resistance and decreased double-layer capacitance. Both DQ-H and DQ-CH3 demonstrated a considerable inhibition effect, with efficiencies of 92 % and 94 % respectively, illustrating their potential for sustainable copper protection. Electrochemical impedance spectroscopy (EIS) results indicated a significant increase in polarization resistance from 605.7 (blank) to 9403 and 12861 Ω cm2, after the addition of DQ-H and DQ-CH3, respectively. Furthermore, the adsorption attributes of the compounds on the Cu(111) surface were examined using first-principles density functional theory simulation, revealing several covalent bonds formation. Our work aims to contribute to sustainability efforts in materials science by offering a corrosion-protective solution that is less harmful to the environment and more efficient in preserving copper's durability, particularly in saline environments.

Study on Desulfovibrio desulfuricans mediated copper corrosion and its inhibition using bio-wax of Colocasia esculenta

In the present study, the bio-wax was extracted from Colocasia esculenta and was tested for its corrosion inhibiting property against Desulfovibrio desulfuricans. Inhibition of copper corrosion by bio wax from Colocasia was observed using weight loss method, electrochemical impedance spectroscopy (EIS) and scanning electron microscopy (SEM). Results obtained from the weight loss studies and impedance measurements provided similar trends of inhibition efficiency. Cu coupon coated with bio-wax showed significant reduction in corrosion rate i.e. Rcorr of 0.0011mmpy. This result gives an idea about the protective nature of thick bio-wax coated copper coupons from bacterial adherence and bacterial metabolites. The impedance value in the bio wax coated coupon was found to be from 188.67 to 781.25 ohms at 1 Volt. The wax FTIR analysis in a spectral region of 4000 cm- 1 - 400 cm -1 showed peaks at 2918.75 cm -1 and 2849.73 cm -1 confirming the presence of hydrophobic hydrocarbon. Morphological changes were observed after coating the bio wax as shown from SEM analysis. The incorporation of the hydrophobic property of bio-wax showed sufficient reduction in MIC of copper. Bio-wax acted as a protective covering inhibiting the adherence of corroding bacteria on the surface. Inhibition efficiency results are in good agreement to use Colocasia bio wax as a source of sustainable and renewable surface coating material. This property might be used in future as an ingredient in anti-rust paint used in coating metal surfaces like ship parts, pipelines systems of petroleum industry and other metal made machines etc.

Studying the Effectiveness of an Expired Betamethasone Drug in Sulfuric Acid Solutions to Examine the Corrosive Behavior of Copper Using Weight Loss and Experimental Design

Utilizing expired pharmaceuticals as corrosion inhibitors for copper in acidic environments offers compelling advantages, including cost-effectiveness, reduced toxicity compared to traditional inhibitors, and contribution to pharmaceutical waste reduction through recycling. This study investigates the corrosion inhibition of copper in a sulfuric acid solution using varying concentrations of Expired Betamethasone Drug, employing weight loss and Experimental Design methods. The influence of temperature on copper's corrosion behavior is examined within the range of 293–333 K. Results show that inhibition efficiency increases with higher inhibitor concentrations but decreases with rising temperature. Thermodynamic analyses elucidate adsorption and activation processes, revealing that the adsorption of Expired Betamethasone Drug on copper surfaces is characterized as endothermic and spontaneous, aligning well with the Langmuir and Frumkin adsorption isotherms. The activation and free energies of inhibition reactions support a mechanism of physical adsorption. To establish the relationship between factors and responses, we employ response surface methodology (RSM) with regression statistical analysis and probabilistic assessment. Statistical analysis demonstrates highly significant quadratic models for inhibition efficiencies (IE) with a coefficient of multiple regressions (R²) of 0.999. Further model validation confirms a strong fit (adjusted R² = 0.997), with experimental observations closely matching predictions and a highly significant model (Q² = 0.989). The findings reveal that this expired drug exhibits substantial inhibitory power, exceeding 96%, in both experimental and predictive calculations.

Pyracantha fortuneana alcohol extracts as biodegradable corrosion inhibitors for copper in H2SO4 media

Compared with traditional copper corrosion inhibitors, Pyracantha fortuneana alcohol extracts are derived from natural plants, will not cause environmental pollution after use, and are in line with the concepts of green chemistry and sustainable development. In this study, Pyracantha fortuneana alcohol extracts (PFAE) were obtained by ethanol soaking extraction method. PFAE, a novel degradable green corrosion inhibitor, has been investigated by experiments and theoretical calculations for its anti-corrosion performance of copper in H2SO4 solution. Electrochemical experiments have demonstrated a pronounced increase in corrosion inhibition efficiency (η) as the concentration of PFAE rises. At a PFAE concentration of 600 mg/L, the inhibition efficiency can exceed 95 %. Additionally, the electrochemical method was used to investigate how the effect of soaked time on its anti-corrosion performance. After 4 h of immersion in a H2SO4 solution containing PFAE, the copper could still maintain more than 80 % of the anti-corrosion performance. The results of surface morphology analysis demonstrate that after adding PFAE, the roughness of the copper sample is significantly reduced. This provides intuitively evidence that PFAE can indeed proficiently inhibit copper corrosion within a sulfuric acid solution. According to the study of the adsorption model, it was found that the adsorption behavior of PFAE onto the copper surface adheres to the Langmuir monolayer adsorption model. Moreover, the findings indicate the coexistence of both physical and chemical adsorption mechanisms. The findings of molecular dynamics simulations (MD) and quantum chemistry (QC) calculations indicate that the six active components of PFAE can display strong anti-corrosion capability.

Exploring the effectiveness of two triazole derivatives as copper corrosion inhibitors in NaCl solution: A combined approach of quantitative chemistry and dynamic molecular simulations

The present study investigates the effectiveness of a novel inhibitor, 2‑hydroxy-5-((4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)methyl) benzaldehyde (STR), in preventing copper from corrosion in a 3.5 wt.% NaCl solution. A comparative study of the inhibition efficiency between our newly synthesized water-soluble triazole STR, and the commercially available Benzotriazole (BTA) was evaluated using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) tests. The results revealed a substantial reduction in the rate of copper oxidation with increasing inhibitor concentrations. At 10−3 M, STR and BTA demonstrated inhibition efficiencies of 92.73% and 97.62% respectively. Analysis of the Tafel curves showed that the inhibitors used exhibited mixed type behavior. Langmuir isotherms showed that the STR and BTA molecules are adsorbed on copper surface, following the chemical adsorption process. Theoretical calculations based on density functional theory (DFT) method and molecular dynamic (MDS) simulations, provided valuable insights into the efficacy and mode of action of STR and BTA as copper corrosion inhibitors in a 3.5 wt.% NaCl solution.

Inhibition of Copper Corrosion in Sulfuric Acid by Mentha Pulegium L

Inhibition of Copper Corrosion in Sulfuric Acid by Mentha Pulegium L

3,4-Dimethoxy phenyl thiosemicarbazone as an effective corrosion inhibitor of copper under acidic solution: comprehensive experimental, characterization and theoretical investigations.

This study investigates the corrosion inhibition potential of 3,4-dimethoxy phenyl thiosemicarbazone (DMPTS) for copper in 1 M hydrochloric acid (HCl) solutions, aiming to disclose the mechanism behind its protective action. Through an integrative methodology encompassing electrochemical analyses-such as weight loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS)-we quantitatively evaluate the corrosion protection efficacy of DMPTS. It was determined that the optimal concentration of DMPTS markedly boosts the corrosion resistance of copper, achieving an impressive inhibition efficiency of up to 89% at 400 ppm. The formation of a protective layer on the copper surface, a critical aspect of DMPTS's inhibitory action, was characterized using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). These techniques provided empirical evidence of surface morphology modifications and roughness changes, affirming the formation of a protective barrier against corrosion. A significant advancement in our study was the application of Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy, which identified chemical adsorption as the definitive mechanism of corrosion inhibition by DMPTS. The ATR-FTIR results explicitly demonstrated the specific interactions between DMPTS molecules and the copper surface, indicative of a robust protective adsorbed layer formation. This mechanistic insight, crucial to understanding the inhibitory process, aligns with the protective efficacy observed in electrochemical and surface analyses. Theoretical support, provided by the Quantum Theory of Atoms in Molecules (QTAIM) and quantum chemical computations, further validated the strong molecular interaction between DMPTS and copper, corroborating the experimental findings. Collectively, this research not only confirms the superior corrosion inhibition performance of DMPTS in an acidic setting but also elucidates the chemical adsorption mechanism as the foundation of its action, offering valuable insights for the development of effective corrosion inhibitors in industrial applications.

Evaluation of Fragaria ananassa and Cucurbita pepo L Leaf Extracts as natural green corrosion inhibitors for copper in 0.5 M hydrochloric acid solution

Evaluation of Fragaria ananassa and Cucurbita pepo L Leaf Extracts as natural green corrosion inhibitors for copper in 0.5 M hydrochloric acid solution

Towards rational design of organic copper corrosion inhibitors: High-throughput computational evaluation of standard adsorption Gibbs energy

A high-throughput computational framework is established for automatic computation of standard adsorption Gibbs energies of organic corrosion inhibitors. 272 adsorption energies of 17 corrosion inhibitors on Cu(111) surface were determined. A correlation between adsorption energies and changed Cu-d band centers induced by molecular adsorption is established. Standard adsorption Gibbs energies were derived based on additional thermodynamical and solvation correction. Standard adsorption Gibbs energy cannot be directly correlated with the inhibition efficiency. While some of corrosion inhibitors show a linear correlation between standard adsorption Gibbs energies and inhibition efficiencies, the rest do not due to their orientation-dependent adsorption mechanisms.

A comparative study of novel synthesized sulfamide compounds: Electrochemical, morphological, XPS, and theoretical investigations on copper corrosion inhibition in 1.0 M HCl

This study investigates the corrosion inhibition performance of N-phenyl sulfamide (NPS) and N-phenyl piperazine sulfamide (NPPS) for copper in a solution of 1.0 M hydrochloric acid (HCl) through a comprehensive combination of experimental and theoretical approaches. Electrochemical methods (polarization measurements and electrochemical impedance spectroscopy (EIS)), characterization techniques (FTIR, ATR, SEM and XPS investigations), and theoretical calculations are employed to analyze the inhibitive properties and provide insights on how the inhibitors and copper surface interact. Results from polarization and EIS analyses reveal that NPS and NPPS, both at a concentration of 400 mg/L, deliver substantial corrosion inhibition, achieving rates of 92.33 % and 98.70 % for polarization, and 93.60 % and 96.51 % for EIS, respectively, which gives NPPS an advantage over the other inhibitor with high inhibitor efficiency. SEM and XPS investigations confirm the adsorption of these inhibitors to the copper surface, resulting in a notably smoother and more uniform appearance with minimal damage, especially for NPPS. Theoretical calculations employing the DFT-B3LYP method provide valuable insights into the molecular properties of NPS and NPPS. These simulations support the outcomes of the tests and give insight into how NPPS inhibitor act as stronger inhibitor compared with NPS inhibitor. Overall, this study enhances our understanding of corrosion protection mechanisms and offers crucial information in order to establish robust copper corrosion inhibitors for acidic conditions. The combination of theoretical and experimental approaches offers a thorough framework for investigating corrosion inhibition and opens the door for the creation of sophisticated and effective inhibitors to protect copper from corrosive attacks.

Experimental and theoretical investigation of phenyl disulphide as an effective inhibitor for copper in sodium chloride medium

Finding effective organic corrosion inhibitors is crucial for enhancing copper's corrosion inhibition performance in corrosive environments. This study focuses on the corrosion inhibition effect of Phenyl disulphide (PDF) on copper in 3.5 wt% NaCl solution. The results show that adding 2 mM PDF to NaCl solution decreased the corrosion current density from 6 μA/cm2 to 1.1 μA/cm2, with a corrosion efficiency of 81.7%. XPS analysis revealed that a protective S-Cu bonding layer was formed on the surface of copper, effectively restraining the corrosion process of copper. In addition, quantum chemistry calculations indicated that PDF was highly reactive and susceptible to electrophilic and nucleophilic attacks. The molecular dynamics simulation demonstrated that the molecule PDF adhered to the surface of Cu(111) in a parallel fashion. The binding energy was also calculated to be 235.8 kJ/mol, which effectively guarded the Cu surface and prevented contact with the Cl- containing corrosion medium.

Rhododendron simsii leaf extract as a corrosion inhibitor for Cu in 0.5 M H2SO4: Experimental and theoretical studies

This study focuses on the utilization of a facile method to obtain Rhododendron simsii leaves extract (RSLE) as an efficient green corrosion inhibitor for Cu in 0.5 M H2SO4. The functional groups in RSLE were characterized using Fourier transform infrared spectroscopy (FTIR). The corrosion inhibition effect of RSLE was comprehensively evaluated by combining weight loss, electrochemical and surface analysis methods. The results showed that the maximum corrosion inhibition efficiency for Cu in the temperature range of 298 K∼308 K was more than 92.6% when the concentration of RSLE was 500 mg/L. RSLE is a mix-type corrosion inhibitor, and the adsorption on the surface of Cu was in accordance with the Langmuir model. In addition, the reaction sites and adsorption configurations on the Cu (1 1 1) surface of several typical active molecules in RSLE were analyzed by quantum chemistry (QC) and molecular dynamics simulation (MDS). The combination of experimental and theoretical results confirms that RSLE has excellent corrosion inhibition properties for Cu in acidic environments. In this study, an efficient corrosion inhibitor for copper corrosion in acidic environments was extracted for the first time from Rhododendron simsii leaves, providing a new perspective for future Cu corrosion prevention studies.

Sulfonated Zinc Phthalocyanine Coating as an Efficient and Ecofriendly Corrosion Inhibitor for Copper Surfaces: An In Silico Led Design and Its Experimental Validation.

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.