International Journal of Electrochemical Science最新文献

{"title":"Recent advances in electrochemical detection methods for liver cancer biomarkers","authors":"Jingjing Du,&nbsp;Hongwu Tao","doi":"10.1016/j.ijoes.2024.100921","DOIUrl":"10.1016/j.ijoes.2024.100921","url":null,"abstract":"<div><div>This comprehensive review explores recent advancements in electrochemical detection methods for liver cancer biomarkers, highlighting their potential to transform early diagnosis and monitoring of hepatocellular carcinoma. We examine the current landscape of liver cancer biomarkers, including established proteins such as alpha-fetoprotein and emerging candidates like circulating tumor DNA and long non-coding RNAs. The principles of electrochemical biosensing are discussed, followed by an in-depth analysis of innovative sensor designs incorporating nanomaterials, surface modification strategies, and novel recognition elements. Particular attention is given to label-free approaches, aptamer-based sensors, and the integration of microfluidic technologies. The review covers recent developments in enhancing sensitivity and specificity, with some platforms achieving femtogram-level detection limits. We also address progress towards point-of-care applications and the challenges in translating laboratory prototypes to clinical use. The potential impact of these technologies on improving patient outcomes through earlier detection and personalized treatment strategies is evaluated. Finally, we discuss future research directions, including the development of multiplexed detection platforms and the need for large-scale clinical validation studies to establish the efficacy of electrochemical biosensors in real-world settings.</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100921"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bimetallic Pd-Au nanoparticles decorated MoS2/GO nanoflowers for sensitive detection of doxorubicin","authors":"Zefeng Wang ,&nbsp;Qin Li ,&nbsp;Anguo Hou ,&nbsp;Runnan Fang ,&nbsp;Ling Shi","doi":"10.1016/j.ijoes.2024.100914","DOIUrl":"10.1016/j.ijoes.2024.100914","url":null,"abstract":"<div><div>Doxorubicin (DOX) was an anticancer drug that had widespread use in treating tumor cells, its excessive use leaded to several adverse effects, including hair loss, cardiotoxicity, and suppression of bone marrow hematopoiesis. Herein, we designed and prepared ultrathin Pd-Au NPs anchored on the surfaces of flower-like MoS₂/GO to formation Pd₍₄₎-Au₍₃₎/MoS₂/GO nano-catalysts. The obtained Pd₍₄₎-Au₍₃₎/MoS₂/GO nano-catalysts were characterized by scanning electron microscope (SEM) and X-ray diffractometer (XRD). The numerous ultrathin walls containing both GO and MoS₂ nanolayers were interconnected to form flower-like MoS₂/GO. The large specific surface area and interwoven pore structure were conducive to the loading of a large number of Pd and Au nanoparticles (NPs). The excellent hierarchical structure could possess more active sites and transportation channels to adsorb and diffuse of target analyte. Then Pd₍₄₎-Au₍₃₎/MoS₂/GO nano-catalysts was used as sensing materials for sensitive DOX detection. The Pd₍₄₎-Au₍₃₎/MoS₂/GO electrochemical-sensing properties and detection mechanism to DOX were investigated by cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The results showed that Pd₍₄₎-Au₍₃₎/MoS₂/GO possessed excellent electrochemical catalysts activity and the electrode reaction was a an adsorption controlled process. The linear detection ranges of 0.11–127.5 μM, the detection limits was 0.042 μM. The prepared electrode had been successfully applied to the determination of DOX in urine sample with the recoveries were between 101.5 % and 106.4 %.</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100914"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of 14-(4-nitrophenyl)-14H-dibenzo[a,j]xanthene as an effective organic corrosion inhibitor for mild steel in 1 M HCl: Electrochemical, theoretical, and surface analysis","authors":"Azzeddine Belkheiri ,&nbsp;Khadija Dahmani ,&nbsp;Khaoula Mzioud ,&nbsp;Mohamed Khattabi ,&nbsp;Otmane Kharbouch ,&nbsp;Mouhsine Galai ,&nbsp;Youssef Merroun ,&nbsp;Nadia Dkhireche ,&nbsp;Zakaria Benzekri ,&nbsp;Said Boukhris ,&nbsp;Rafa Almeer ,&nbsp;Abdelkarim Chaouiki ,&nbsp;Mohamed Ebn Touhami","doi":"10.1016/j.ijoes.2024.100907","DOIUrl":"10.1016/j.ijoes.2024.100907","url":null,"abstract":"<div><div>In this study, the corrosion inhibition performance of 14-(4-Nitrophenyl)-14H-dibenzo[<em>a</em>,<em>j</em>]xanthene <strong>(</strong>ZM6) for mild steel in 1 M hydrochloric acid (HCl) was investigated. ZM6, a novel inhibitor, was evaluated using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques to assess its protective efficiency. The results show that ZM6 functions as a mixed-type inhibitor, effectively reducing both anodic and cathodic reactions, with inhibition efficiency (ηPP) reaching up to 92.2 %. EIS analysis further confirmed the formation of a protective barrier on the steel surface. Additionally, the study demonstrated that ZM6 maintained high inhibition efficiency even at elevated temperatures, albeit with slight decreases, suggesting a predominantly physical adsorption mechanism. The adsorption of ZM6 on the steel surface followed the Langmuir isotherm, indicating a strong interaction between the inhibitor molecules and the metal surface. This research underscores the potential of ZM6 as an effective corrosion inhibitor, offering valuable insights into its application in industrial corrosion control for steel in harsh acidic conditions.in addition the density Functional Theory (DFT) was employed to explore the anti-corrosion mechanism of ZM6, yielding theoretical results that aligned with previous experimental findings</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100907"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of tin alloying on the corrosion behavior and discharge performance of aluminum anodes for aluminum-air batteries","authors":"Bilgehan Çetinöz Öksüz ,&nbsp;Metehan Erdoğan ,&nbsp;İshak Karakaya","doi":"10.1016/j.ijoes.2024.100909","DOIUrl":"10.1016/j.ijoes.2024.100909","url":null,"abstract":"<div><div>Aluminum-air batteries (AAB) are alternative to common commercial batteries like lithium-ion batteries due to their high theoretical energy density, low cost, and environmental friendliness. However, the formation of a protective oxide layer and side corrosion reactions on aluminum anodes limit the efficiency and decreases energy density. Effect of tin (Sn) alloying on the corrosion rate and discharge behavior of aluminum alloys for AABs in an alkaline solution was investigated in this study. Al-0.5Mg-0.05Ga-0.05In base alloy having three different Sn compositions were used during immersion and electrochemical tests performed in 4 M NaOH solution. The results show that addition of Sn significantly affects the self-corrosion rate and discharge performance of alloy. The alloy containing 0.1 wt% Sn exhibited the lowest corrosion rate and the highest energy density, highlighting the optimal Sn concentration for enhanced AAB performance. Microstructural analysis using SEM (Scanning Electron Microscope) and EDS (Energy Dispersive Spectroscopy) confirmed the presence of Sn-rich precipitates, which influence the electrochemical behavior of the alloys.</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100909"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143133028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of dissimilar metals on the microstructure and characteristics of hopeite coating prepared on titanium alloy surface by potential difference-driven chemical conversion method","authors":"YaJun Li ,&nbsp;Dandan Ma ,&nbsp;Yan Li ,&nbsp;Zhen Ma ,&nbsp;Guiyong Xiao ,&nbsp;Zhaoyong Lv ,&nbsp;Xingchuan Zhao","doi":"10.1016/j.ijoes.2024.100904","DOIUrl":"10.1016/j.ijoes.2024.100904","url":null,"abstract":"<div><div>The bioactivity of medical titanium alloys is limited due to the presence of a natural passivation film on their surface. The preparation of hopeite (Zn₃(PO₄)₂·4 H₂O) coating on titanium substrate has attracted extensive attention. In this study, the principle of galvanic coupling was used to induce the formation of hopeite coatings on the surface of Ti6Al4V(TC4) substrate by three coupling metals. The results show that hopeite coatings with varied morphological characteristics can be produced by galvanic coupling phosphate chemical conversion (GCPCC) of TC4 with pure iron (Ti/Fe), pure zinc (Ti/Zn), and AZ31B magnesium alloy (Ti/Mg). The driving force behind the formation of the conversion coating stems from the difference in electrode potential between the dissimilar metals and the TC4 titanium alloy. The findings suggest that the smaller the potential difference between the anode metal and TC4, the lower the driving force. Among the three galvanic coupling systems, the Ti/Fe potential difference is the smallest, resulting in a slower coating formation rate and a finer, denser microstructure. Moreover, the Ti/Fe conversion coating exhibites the lowest I_corr at 0.015 μA/cm² and the smallest contact angle at 10.4°, indicating superior corrosion resistance and wettability. Cell experiments further confirms that this coating possesses commendable bioactivity.</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100904"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical simulation for a suitable electron transport layer of a lead-free CuInSe2 based perovskite solar cell and PV module","authors":"Adnan Javed ,&nbsp;Muhammad Farooq Nasir ,&nbsp;Sikander Azam ,&nbsp;Mohammed A. Amin","doi":"10.1016/j.ijoes.2024.100893","DOIUrl":"10.1016/j.ijoes.2024.100893","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The high expense of solar cell manufacture and experimentation has led researchers to use numerical simulation. The advantages of simulation-based optimization include the simplicity of use, low cost, and the ability to forecast the ideal parameters that go into producing a cell with the optimum performance. The efficiency of perovskite materials used in solar systems has increased significantly, and they are virtually ready for commercialization. Academics and the scientific community are now interested in lead-free perovskite materials because of the toxic problem and hazardous nature of lead (Pb)-based perovskite materials. In this research, Pb is replaced by copper indium diselinide (CuInSe&lt;sub&gt;2&lt;/sub&gt;). This study simulated, examined, and analyzed the performance of photovoltaic (PV) CuInSe&lt;sub&gt;2&lt;/sub&gt;-based TFSCs with three different electron transport layers: indium sulfide (In&lt;sub&gt;2&lt;/sub&gt;S&lt;sub&gt;3&lt;/sub&gt;), titanium dioxide (TiO&lt;sub&gt;2&lt;/sub&gt;), and stannic oxide (SnO&lt;sub&gt;2&lt;/sub&gt;). SCAPS-1D software was used to model (FTO/TiO&lt;sub&gt;2&lt;/sub&gt;/CuInSe&lt;sub&gt;2&lt;/sub&gt;/Spiro-OMeTAD/Ni), (FTO/SnO&lt;sub&gt;2&lt;/sub&gt;/CuInSe&lt;sub&gt;2&lt;/sub&gt;/Spiro-OMeTAD/Ni), and (FTO/In&lt;sub&gt;2&lt;/sub&gt;S&lt;sub&gt;3&lt;/sub&gt;/CuInSe&lt;sub&gt;2&lt;/sub&gt;/Spiro-OMeTAD/Ni) configurations to determine which one has the highest conversion efficiency. All three electron transport layer (ETL) thicknesses, with absorber and hole-transport (HTL) layer thicknesses, were optimized. Results indicate that, the absorber layer for SnO&lt;sub&gt;2&lt;/sub&gt; and In&lt;sub&gt;2&lt;/sub&gt;S&lt;sub&gt;3&lt;/sub&gt; layers must be 3.00 µm thick, and for the TiO&lt;sub&gt;2&lt;/sub&gt; layer it must be 4.00 µm thick. Efficiency of 26.17 % is revealed with SnO&lt;sub&gt;2&lt;/sub&gt;, whereas J&lt;sub&gt;sc&lt;/sub&gt;, V&lt;sub&gt;oc&lt;/sub&gt;, and FF, are observed as 43.15 mA/cm&lt;sup&gt;2&lt;/sup&gt;, 0.723 V, and 83.80 %, respectively. While with In&lt;sub&gt;2&lt;/sub&gt;S&lt;sub&gt;3&lt;/sub&gt;, efficiency is revealed as 26.15 %, with J&lt;sub&gt;sc&lt;/sub&gt;, V&lt;sub&gt;oc&lt;/sub&gt;, and FF are observed as 43.17 mA/cm&lt;sup&gt;2&lt;/sup&gt;, 0.723 V, and 83.68 % respectively. Efficiency of 26.65 % is revealed by TiO&lt;sub&gt;2&lt;/sub&gt; with current density (J&lt;sub&gt;sc&lt;/sub&gt;), open circuit voltage (V&lt;sub&gt;oc&lt;/sub&gt;), and fill factor (FF), which are shown as 43.53 mA/cm&lt;sup&gt;2&lt;/sup&gt;, 0.728 V, and 83.68 %, respectively which was carefully calculated. The device shows highest performance with TiO&lt;sub&gt;2&lt;/sub&gt; ETL. The maximum extent for J&lt;sub&gt;sc&lt;/sub&gt;, V&lt;sub&gt;oc&lt;/sub&gt;, FF%, and PCE% during optimal investigation is shown by the generation of supplemental electron-hole pairs under standard conditions by altering the thicknesses of the absorber, hole, and electron transport layers. Parasitic resistances effect on the cell performance indicate that solar cells work effectively with low R&lt;sub&gt;s&lt;/sub&gt; and high R&lt;sub&gt;sh&lt;/sub&gt; values. The temperature effect on solar cells shows that as temperature rises, cell performance declines due to increased reverse saturation current and reduced bandgap. Quantum efficiency analysis of three ETL layers found that TiO&lt;sub&gt;2&lt;/sub&gt; and SnO&lt;sub&gt;2&lt;/sub","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100893"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrigendum to “Electrochemical performance of Mg-Al-Zn and Mg-Al-Zn-Ce alloys as anodes for Mg-air battery” [Int. J. Electrochem. Sci. 13 (2018) 11180–11192]","authors":"Hualong Zhu ,&nbsp;Hui Liu ,&nbsp;Hongjie Fang ,&nbsp;Yilong Dai ,&nbsp;Li Li ,&nbsp;Xiangchun Xu ,&nbsp;Yang Yan ,&nbsp;Kun Yu","doi":"10.1016/j.ijoes.2024.100888","DOIUrl":"10.1016/j.ijoes.2024.100888","url":null,"abstract":"","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100888"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143133050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing PEMFC performance through dome-like variable cross-section channels: A study on mass transfer and power density optimization","authors":"Keke Liu ,&nbsp;Yongfeng Liu ,&nbsp;Qiwo Han ,&nbsp;Pucheng Pei ,&nbsp;Lu Zhang ,&nbsp;Hua Sun","doi":"10.1016/j.ijoes.2024.100920","DOIUrl":"10.1016/j.ijoes.2024.100920","url":null,"abstract":"<div><div>The structural optimization of channel embedded in bipolar plate is of great significance for improving the mass transfer and power density of proton exchange membrane fuel cell (PEMFC). In this paper, inspired by the dome-like architecture, a novel variable cross-section channel (CN-17) combining protrusions and conventional parallel channel (CPC) is proposed to enhance the performance of PEMFC. By changing the number of branch channels, a series of novel channels (DVCCs) are also designed, and the detailed performance study is conducted by a three-dimensional (3D) computational fluid dynamics model verified by the experiment data. Python code is used for calculating the rib area ratio and conducting statistical analysis of current density. It is found that CN-17 demonstrates an 8.31 % increase in maximum current density and a 7.36 % increase in maximum power density compared to CPC. It is also found that DVCCs accelerate the flow of reactive gas, promote the oxygen to enter the catalyst layer (CL), and uniform distribution of oxygen and current density at the GDL/CL interface. Furthermore, as the number of branch channels increases, the performance of PEMFC improves. The DVCC with 19 branch channels (CN-19) exhibits the best performance.</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100920"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sweet Orange Peel Extract as green sustainable corrosion inhibitor for Al in 1 M HCl","authors":"Mohamed E. Eissa ,&nbsp;Safaa H. Etaiw ,&nbsp;Eslam S. El-Hussieny ,&nbsp;Ahmed A. El‑Hossiany ,&nbsp;Abd El-Aziz S. Fouda","doi":"10.1016/j.ijoes.2024.100882","DOIUrl":"10.1016/j.ijoes.2024.100882","url":null,"abstract":"<div><div>In a one-molar hydrochloric acid solution, the potential of <em>Sweet Orange Peel Extract</em> (SOPE) as an inexpensive, efficient corrosion inhibitor for Al is explored. “Mass loss (ML), electrochemical frequency modulation (EFM)”, potentiodynamic polarization (PDP), “electrochemical impedance spectroscopy (EIS)”, energy dispersive X-ray spectroscopy (EDX), scanning electron microscopy (SEM), and atomic force microscopy (AFM) techniques were used to study this. The findings show that when extract concentrations were raised the inhibitory efficiency (IE) of SOPE increased. On the other hand, the IE of SOPE decreased when raised the temperature of the system. A maximum inhibition efficiency of approximately 92.53 % was achieved for Al in 300 ppm HCl solution. The adsorption of SOPE onto the Al surface followed Langmuir adsorption kinetics, suggesting a mixed physical adsorption mechanism. The negative value of the free energy of adsorption, less than −20 kJ mol⁻¹, indicated the physical nature of the adsorption process. This study presents a powerful and environmentally friendly method to reduce electrochemical corrosion by utilizing a new, efficient inhibitor. Surface morphology was disclosed by various techniques both with and without SOPE. The outcomes obtained using all techniques are in good agreement.</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100882"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An investigation of benzothiazole ionic compound as corrosion inhibitor for carbon steel in acidic media using electrochemical research, surface techniques, DFT, and MD simulation studies","authors":"A. Barrahi ,&nbsp;M.E.M. Mekhzoum ,&nbsp;Abhinay Thakur ,&nbsp;A.E. Kacem Qaiss ,&nbsp;G. Kaichouh ,&nbsp;M. El Faydy ,&nbsp;F. Benhiba ,&nbsp;B. Dikici ,&nbsp;R. Bouhfid ,&nbsp;Hatem A. Abuelizz ,&nbsp;I. Warad ,&nbsp;A. Zarrouk","doi":"10.1016/j.ijoes.2024.100917","DOIUrl":"10.1016/j.ijoes.2024.100917","url":null,"abstract":"<div><div>A benzothiazole-based compound, namely (<em>E</em>)-3-ethyl-2-(2-fluorostyryl)benzo[<em>d</em>]thiazol-3-ium iodide, was investigated as a corrosion inhibitor of carbon steel in an acidic solution. Electrochemical studies, atomic force microscopy (AFM), UV–visible spectroscopy, and scanning electron microscopy (SEM-EDX) were used to investigate the surface shape and composition of the BTFI film. In addition, molecular dynamics simulation (MD) and density functional theory (DFT) calculations were used to predict the adsorption structures of the molecules on the steel surfaces. The results show that the inhibition performance (η%) increases with increasing concentration of BTFI, reaching a maximum value of 97.9 % at a concentration of 10⁻³ M. Furthermore, the results of the potentiodynamic polarization test showed that BTFI had an effect on both cathodic and anodic processes. According to the Langmuir model, the inhibitors formed protective layers by adsorption on the metal surface. In addition, surface studies showed that the BTFI-protected HCl medium could reduce roughness and prevent surface damage. The electrical and adsorption properties of the benzothiazole derivative were described by DFT calculations and MD simulations. The experimental results were validated by the recordings of both methods.</div></div>","PeriodicalId":13872,"journal":{"name":"International Journal of Electrochemical Science","volume":"20 1","pages":"Article 100917"},"PeriodicalIF":1.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143132910","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}