bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Invited) New Experimental and Modelling Approaches to Predict Better Corrosion and Protection Properties of Coated Metals
Authors: Terryn Herman Albert , Madelat Negin , Abdelrahman Nourhan , Dabiri Havigh Meisam , Jiryaei Zahra , Wouters Benny , Meeusen Mats , Hubin Annick , Hauffman Tom 
Published: February 2024

The development of new materials is very time and material intensive. To assess the corrosion properties of coated metallic systems, typically accelerated laboratory corrosion tests are performed. Unfortunately, in the current state of the art there is no proven relationship between laboratory testing data and field performance data. This is particularly due to a lack of data from the field in which the key performance affecting properties are measured, and a lack of understanding of the mechanisms of failure and the absence of a detailed model that allows to predict the coating performance based on laboratory test data. The innovative goal of the project is to develop an integrated corrosion modelling tool that is reliable and predictive. Integrated means that all subsystems (metal, coating, electrolyte) and all phenomena leading to corrosion of the system (transport through the coating, interfacial (electro)chemistry, delamination) are brought together in one model. To achieve our goals, we need to use a combined experimental/finite element modelling (FEM) approach. The modelling is necessary for the quantitative description of all relevant phenomena. The experimental approach is necessary at two levels: on the one hand we need to perform experiments to gain mechanistic insight in the occurring phenomena and to determine input parameters for the modelling, on the other hand we need to do the experimental validation of the proposed model(s). We try to focus on both aspects bringing in new advanced combined electrochemical & in situ surface analysis, advanced finite element electrochemical modelling and more recently quantum chemical modelling. At the end of the presentation the recently started Horizon 2020 project VIPCOAT will be introduced. The goal of the EU-funded VIPCOAT project is to create an open innovation platform that should assist engineers in developing coating materials and constructing accelerated life test scenarios to assess their durability.
Acknowledgements: FWOSBO project S000718N,Predictcorr and H2020-NMBP-TO-IND-2020,Vipcoat
Efficiency of Anti-Corrosion Protective Coatings Based on Graphene Oxides Functionalised with Green Inhibitors
Authors: Linh Do Thuy , Perrin Fx 
Published: February 2024

Mild steel (MS) is commonly used for infrastructure and machinery due to its various engineering properties and benefits, but they are highly prone to corrosion. For decades, organic polymeric coatings are widely applied to protect metallic systems against corrosion. Besides the physical barrier, the organic coatings have been manipulated by adding anti-corrosion pigments or corrosion inhibitors, such as red-lead or chromate to enhance protection. However, these conventional anticorrosive pigments have been substituted because of their toxicity and environmental problems. Recent studies have been consequently conducted to develop environmentally safe and green alternatives obtained from natural products.
In the framework of this study, a novel green hybrid pigment nano-pigment based on graphene oxide (GO) and an organic natural inhibitor was prepared and included in a Polyvinyl Butyral (PVB) coating. The protective properties of PVB coatings without and with the addition of GO and f-GO on steel in 3.5wt% NaCl solution were studied by electrochemical methods.
The new pigment functionalised GO (f-GO) is not only able to be an outstanding barrier, but it can also store a considerable amount of corrosion inhibitors and release them, when necessary, on the protective coating system. GO was functionalised with the green inhibitor in aqueous phase and the compound obtained was characterised by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), thermo gravimetric analysis (TGA), ultraviolet-visible spectroscopy (UV-Vis) and atomic force microscopy (AFM).
FT-IR and UV-Vis spectroscopy results indicated that the organic compound effectively reduced GO into f-GO and PVB/f-GO composite coatings showed 100 times higher anticorrosion resistance than PVB/GO and neat PVB.

Figure 1
Hydrogen Permeation Study on Zinc-Nickel Coated Ultra-High Strength Martensitic Steels
Authors: Jothi Manickam Manoj Prabhakar , Ravikumar Aravinth , Salicio-Paz Asier , Van den Bossche Bart , Höche Daniel , Lekka Maria , Rohwerder Michael 
Published: February 2024

Cadmium coatings are conventionally electrodeposited on ultra-high strength steels (UHSS) used in aerospace application to provide corrosion protection. Zinc-nickel alloy coatings are being studied as an alternative to cadmium coatings as the latter exhibits environmental and health concerns. The electrodeposition of zinc-nickel alloy is accompanied by hydrogen evolution reaction, resulting in hydrogen incorporation into the coating and further inward diffusion into the steel substrate. Presence of hydrogen in UHSS leads to hydrogen embrittlement and can be detrimental to the properties. To avoid this, outgassing of the coated parts are carried out.
In this work, the diffusion of hydrogen through zinc-nickel coated and uncoated UHSS was investigated using the Kelvin-probe based detection technique. The charging of hydrogen in the samples was carried out using either an electrochemical or hydrogen gas-based charging. A comparative study between the electrochemical and gas-based charging techniques was carried out. The influence of coating morphology on the permeation was studied to understand the influence of morphology on outgassing efficiency. The diffusion coefficients were derived from multi-step permeation measurements performed by varying activity at the entry side.

This project has received funding from the Clean Sky 2 Joint Undertaking (JU) under grant agreement No 101007712. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and the Clean Sky 2 JU members other than the Union.
Ti-Al-C Based MAX Phase Coating As Corrosion Protection for Ferritic Bipolar Plates
Authors: Jothi Manickam Manoj Prabhakar , Rohloff Martin , Lindemann Uwe , Kruth Angela , Rohwerder Michael 
Published: February 2024

Metallic bipolar plates in fuel cells have the advantages of high electrical conductivity, low permeability to the reactants and gases, and easy manufacturability. However, resistance to corrosion under long term operation conditions limits their practical use in the fuel cell. Owing to the importance of corrosion stability, materials such as austenitic stainless steels, Ni-based alloys and coated titanium or stainless steel plates are currently being used in bipolar plates, although ferritic steels would be cost effective. A pinhole-free anticorrosion coating can help in application of the ferritic steels in fuel cells. MAX phase materials offer excellent corrosion stability and high electronic conductivity and have been successfully tested for corrosion protection of metallic bipolar plates.
In the current work, Ti-Al-C-based MAX phase coatings were prepared using high power impulse magnetron sputtering (HiPIMS). The HiPIMS process was in some cases also combined with plasma immersion ion implantation (PIII) to study the influence of the high energetic ion implantation process on the structure and performance of the resulting MAX phase layer. The deposited samples were annealed at 800 °C for 2 h in Ar atmosphere. The structure and composition of the coatings produced were studied with X-ray photoelectron spectroscopy, atom probe tomography and transmission electron microscopy. The corrosion performance of the layers was studied using a scanning flow cell coupled with inductively coupled plasma mass spectroscopy.
Electrochemical Deposition of N-Heterocyclic Carbene on Steels As a Corrosion Protective Layer
Authors: Suduwella Thilini Malsha , Singh Vikram , Aloisio Mark , Ezhieh Ahmadreza Nezamzadeh , Crudden Cathleen , Mauzeroll Janine , Li Yuanjiao 
Published: February 2024

Steels play a vital role in every aspect of day-to-day life. They are major components in construction,
transportation, medicine, and etc. Despite their larger usability, steels are suffering from inevitable
corrosion. Hence, finding a sustainable solution for corrosion has been a hot topic in the research field for
centuries. One extensively studied strategy is applying a protective layer on top of metals. The recent
findings show that N-heterocyclic carbene (NHC) has the potency to form a carbon-metal bond through
self-assembling1 or electrochemical deposition2 on different metals such as Au, Pt, Pd, and Ag. Herein, we
are trying to coat NHC on mild steel (MS) through electrochemical deposition to act as a corrosion
protective layer. Deposition conditions will be optimized by varying the material concentrations, applied
voltages, time durations, and substrate roughness. The NHC-coated surface is characterized by X-ray
Photoelectron Spectroscopy (XPS), Matrix-Assisted Laser Desorption/Ionization (MALDI), and Atomic
Force Microscope-Infrared Spectroscopy (AFM-IR). In addition, the contact angle measurements can be
attributed to visualizing the differences in coatings under different conditions. The corrosion studies are
utilized to understand the corrosion-resistant properties of the NHC coating. Moreover, the NHC moiety
can be modified to perform better to inhibit corrosion and improve the properties of mild steel on their
applications. Ultimately, this benchtop approach will be utilized and tested on a large scale and industrial
level.
(1) Crudden, C. M.; Horton, J. H.; Ebralidze, I. I.; Zenkina, O. V.; McLean, A. B.; Drevniok, B.; She, Z.; Kraatz,
H.-B.; Mosey, N. J.; Seki, T. Ultra stable self-assembled monolayers of N-heterocyclic carbenes on gold.

Nat. Chem.
2014, 6 (5), 409-414.
(2) Amit, E.; Dery, L.; Dery, S.; Kim, S.; Roy, A.; Hu, Q.; Gutkin, V.; Eisenberg, H.; Stein, T.; Mandler, D.
Electrochemical deposition of N-heterocyclic carbene monolayers on metal surfaces. Nat.

Commun.
2020, 11 (1), 1-10.
(Best Poster Award - 2nd Place) Energy Harvesting from CO2 Emission Exploiting an Ionic-Liquid Based Electrochemical Capacitor
Authors: Martellone Simone , Molino Davide , Zaccagnini Pietro , Pedico Alessandro , Bocchini Sergio , Ferraro Giuseppe , Lamberti Andrea 
Published: February 2024

Global warming is one of the most serious problems that the humanity is facing in his history.
Since 1900 to nowadays, the global temperature has risen by 1 °C and, according to the scientific
community, the cause is related to the climate-changing emissions due to anthropogenic activities.
In order to avoid an environmental disaster, 196 countries have signed the Paris agreement that
aims to maintain global warming below 1.5 °C compared with pre-industrial levels.
The reduction of greenhouse gas emissions is a key issue in contemporary science, and in this
context, the ability of certain ionic liquids (ILs) to capture carbon dioxide has attracted a lot of
interest. The idea presented in this work is to design an electric double layer supercapacitor which
is able to harvest energy by exploiting the reaction between an ionic liquid and carbon dioxide. In
particular, the system consists of two carbon-based electrodes and a polymeric separator soaked
in ionic liquid. The use of carbon electrodes ensures a high surface area and excellent electrical
conductivity while imidazole-based ionic liquid acts and as electrolyte and as capture media.
The operating principle of this system is a novel mechanism which exploits the formation of a
voltage drop across the device when the electrode-IL interfaces are different; the two different
interfaces are ensured by the presence of imidazole carbamate in a part of the cell (Im − CO2
reaction’s product) and just imidazole in the other part.
Unfortunately the high viscosity of ionic liquids affects a lot the carrier transport and consequently
the device’s performance too; this aspect worsens when imidazole reacts with CO2. Improved ion
mobility is achieved by reducing the ion pairing through the use of high dielectric solvents capable
to screen the ions’ electric field. Polar aprotic solvents tend to have large dipoles making them
suitable for the solvation of charged species.
Several mixtures have been analyzed to detect the best dilution which guarantees high ionic mobility
still maintaining a large amount of active species.
A further performance improvement has been achieved through the engineering of the electrodes,
namely the capacitance of the supercapacitor has been enhanced by exploiting the huge specific
surface area of the activated carbon.
The results show that all the upgrades mentioned lead to an improvement of 500 times in terms of
harvested energy.
Acknowledgement: This result is part of a project that has received funding from the European Research Council
(ERC) under the European Union’s ERC Starting Grant Grant agreement No. 949916

Figure 1
(Invited) Contribution of Oxygen Reduction to Mg Corrosion: Computational Modelling
Authors: Höche Daniel , Wang Cheng , Xu Wen , Zheludkevich Mikhail , Lamaka Sviatlana 
Published: February 2024

The magnesium corrosion mechanisms are still a matter of discussions. Independent from that there is agreement that the cathodic behaviour is based on the superposition of water and oxygen reduction reactions [1]. Accessing the amount of cathodic reaction contributions to the entire corrosion current density via experiment is challenging [2,3]. In a recent work of Wang et al. [4] a combined experimental and computational approach was utilized to explore the superposition of cathodic reactions during Mg corrosion in aqueous electrolytes for different iron impurity situations. The study shows significant variation of percentual contribution of oxygen reduction to the cathodic current for the studied purity levels.
In this work a computational modelling approach is presented accordingly. It is based on the numerical model developed by Höche [5] and enables virtual local electrochemical testing and computational assessment of (electro-)chemical system and transport descriptors. Respective simulation results show, how corrosion and testing system parameters change the measured oxygen approach curves. Subsequently a multi-parameter calibration enabled the quantification of oxygen reduction reaction to the entire corrosion process. The reproduction of experimental results and strategies for model improvement are discussed.

REFERENCES:

[1] Höche, D., Blawert, C., Lamaka, S. V., Scharnagl, N., Mendis, C., & Zheludkevich, M. L., The effect of iron re-deposition on the corrosion of impurity-containing magnesium. Physical Chemistry Chemical Physics, 18-2 (2016), 1279-1291.
[2] Yasakau, K. A., Höche, D., Lamaka, S. L., Ferreira, M. G., & Zheludkevich, M. L., Kelvin microprobe analytics on iron-enriched corroded magnesium surface. Corrosion, 73-55 (2017), 583-595.
[3] E.L. Silva, S.V. Lamaka, D. Mei, M.L. Zheludkevich, The Reduction of Dissolved Oxygen During Magnesium Corrosion, ChemistryOpen, 7 (2018) 664-668.
[4] C. Wang, W. Xu, D. Höche, M.L. Zheludkevich, S.V. Lamaka, Exploring the contribution of oxygen reduction reaction to Mg corrosion by modeling assisted local analysis, Journal of Magnesium and Alloys, 11 (2023) 100-109.
[5] Höche D., Simulation of corrosion product deposit layer growth on bare magnesium galvanically coupled to aluminum. Journal of the electrochemical society, 162-1 (2014), C1.

ACKNOWLEDGEMENTS: C. Wang, W. Xu, thank China Scholarship Council for the funding, grants no. 201806310128 and 201908510177
(Invited)
In-situ Evaluation of Brass Dezincification Corrosion Under Galvanostatic Polarization Combined with Video Observation
Authors: Hoshi Yoshinao , Otake Yoshiyuki , Kito Kaito 
Published: February 2024

Brass is widely used as the applications involving water supply pipes and pipe heat exchangers owing to its good mechanical properties. One of the limiting factors for use of brass is the dezincification corrosion, which may cause the water leakage accident. In the dezincification corrosion, the selective dissolution of zinctakes place on the brass surface, and the porous copper rich layer is formed on the brass surface1,2. To clarify the dezincification corrosion behavior of brass, we have newly developed a real-time cross-sectional surface observation system to examine the dezincification corrosion behavior of brass6. Our group developed a real-time surface observation system combined with video imaging to investigate the dissolution behavior of metals3-5. Comparing to the previous works3-5, the developed system in the present study allows for an in-situ monitoring of metal or alloy cross-section during electrochemical measurement because the video of metal or alloy cross-section can be taken by an optical microscope combined with a charge-coupled device camera. We applied the developed method for the investigation of brass dezincification corrosion, demonstrating that the inhomogeneous dissolution was observed in the depth direction under galvanostatic polarization. The average erosion depth could be estimated from the cross-sectional surface images at each measurement time. The results indicated that the depth erosion rate was different at initial and later stages, implying the preferential dissolution of zinc or the simultaneous dissolution of zinc and copper on the brass surface. Based on the video images and potential changes of brass during the measurement, the detailed dissolution behavior was discussed in the present study.
References

H.W. Pickering, C. Wagner, J. Electrochem. Soc., 7, 114 (1967).

Y. Hoshi et al., J Solid State Electrochem, 19, 3551 (2015).

Y. Hoshi et al., J. Electrochem. Soc., 164, C450 (2017).

Y. Hoshi et al., Surf. Finish. Soc. Jpn., 69, 34 (2018).

Y. Hoshi et al., J. Electrochem. Soc., 165, C243 (2018).

Y. Hoshi et al., Mater. Trans., 64, 885 (2023).
Estimation of State-of-Charge and Energy Efficiency of Supercapacitors Using a 1-D Electrochemical Model
Authors: Saha Pankaj , Ali Abdul , Ramadesigan Venkatasailanathan 
Published: February 2024

Supercapacitors (SCs) have found a broad application spectrum due to their unique characteristics, including high power density and long cycle life [1]. Supercapacitors have been extensively studied to be used with Li-ion batteries for electric vehicle applications due to their complementary characteristics [1]. The energy management system of these applications relies on accurate information about the state-of-charge (SOC) and energy efficiency of the storage device at the cell level for effective monitoring and control. In the case of SCs, coulomb counting is the most commonly used SOC identification method; however, it entails certain challenges, including initial SOC information, effects of leakage current, and measurement noise [1]. Alongside improving the capacitive health diagnosis, it is critical to identify utilizable capacitance. During rapid charge/discharge of an SC, the ions in the electrolyte are immediately adsorbed/desorbed within the macro-pores, which leads to achieving the desired terminal voltage level instantaneously. However, this hinders ions’ penetration in the micropores, causing an inhomogeneous distribution of the ions across the electrodes, increasing the electrolyte resistance, resulting in poor utilizable capacitance and a drop in its energy efficiency [2]. Derived from a one-dimensional model [2, 3], a simplified SOC and energy efficiency estimation scheme of the SCs is proposed in this study. In the solid phases, the charge density of the SC is approximated as a function of its electrodes’ specific surface area, double-layer differential capacitance, and the potential drop across the double-layer. The SOC of the SCs can be expressed as a function of the solid phase charge density in the positive electrode or negative electrode, as defined in Eqn. (1). The energy efficiency (Eeff
) of the SCs can be expressed as a function of the ratio of bulk double-layer potential difference of the electrodes to the output terminal voltage change, as defined in Eqn. (2).

SOC(t)=(ρ(t)/ρmax)×100 ...............(1);

Eeff=(ΔΦ/ΔΦd/ΔV)×CrΔV2/2 ..............(2)

where ρ and ρmax are the electrode charge density at t time and a fully charged state, respectively; ΔΦd
is the bulk double-layer potential difference; ΔV is the terminal voltage change; and Cr
is the rated capacitance.
The electrochemical model is used to analyze the effectiveness of the proposed SOC and energy efficiency model considering a galvanostatic charge and discharge. In this limited scope, a concise response of the model compared to their respective standard methods is shown in Fig. 1. A SAFT 3500 F SC cell parameters are considered to perform the simulations [2, 3]. The results show that the SOC estimation scheme identifies the remaining charge without considering the initial SOC information. Similarly, the energy efficiency model calculates the energy received/delivered by the SC effectively.

Figure 1
Constructing a Robotic Platform for the Autonomous Design of High-Entropy Electrolytes
Authors: Fisker-Bødker Nis , Vincent Smobin , Martinez Victor , Chang Jin Hyun , Vegge Tejs 
Published: February 2024

The use of machine learning and robotics in laboratory experiments has seen a rapid increase in recent years, driven by the need for more accurate and efficient experimental results.
Despite strong synergies when combined with machine learning models, autonomous robotics hardware for electrochemical experiments has not received the same spotlight. In this work, we introduce a customizable robotic platform designed for the electrochemical characterization of liquid battery electrolytes. The platform is applicable for synthesizing and characterizing a large number of samples with varying compositions and can be used in connection with machine learning algorithms for performance optimization.
We discuss the challenges associated with working with a robotic platform compared to other solutions, demonstrate design considerations on test cells for <1 ppm O2 atmosphere, and how to design a heating/cooling system. A brief overview of different fabrication methods and tools for developing the robotic setup is offered. We present a hardware control solution that allows for the future addition of hardware like pumps and sensors and show how to integrate these components while keeping a tight code design. Finally, we demonstrate the importance of accurately monitoring the uncertainties for the included components and their implications on the training accuracy of the machine learning model.
Overall, our work presents a promising approach to electrochemical synthesis and characterization that has the potential to improve the efficiency and accuracy of experimental results.