The dream corrosion inhibitor would work for every substrate–environment combination, and the protection would be sustained indefinitely with an irreversible barrier layer when exposed to aggressive and changing environmental conditions. However our prior electrochemical experiments on AA2024-T3 have shown that despite the initial inhibition, all of the tested molecules had reversible bonds that limit their inhibition performance and applicability in dynamic environments, with the exception of 3-amino-1,2,4-triazole-5-thiol, which still showed 42% inhibition efficiency after being exposed to 0.1M NaCl only for three days. To our knowledge, this is the first mechanistic study that explains the origin of such quasi-sustained inhibition by an organic molecule under dynamic and aggressive conditions relevant to aerospace alloys. Potentiodynamic polarization, atomic force microscopy and scanning Kelvin probe force microscopy (AFM/SKPFM), X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS), and time-of-flight secondary ion mass spectrometry (ToF-SIMS) complemented by density functional theory (DFT) calculations were used to identify the molecular mechanism responsible for the quasi-stable adsorption provided by 3-amino-1,2,4-triazole-5-thiol. Our findings suggest that a sulphatization of the Al-(hydr)oxide is the key contributor to the quasi-sustained corrosion inhibition. Sustained molecule adsorption over intermetallics in trace amounts was also observed, but their presence was insufficient to inhibit corrosion.

The development of advanced catalysts with innovative nanoarchitectures is critical for addressing energy and environmental challenges such as the electrochemical CO₂ reduction reaction (CO₂ RR). Herein, the synthesis of an innovative copper–sulfur planar structure, Cu–S–BDC, within a metal–organic framework (MOF) catalyst is presented, which demonstrates 100% selectivity toward formate as the sole carbon product. Structural analysis and surface characterizations reveal that Cu–S–BDC exhibits quasi-2D inorganic building units, with Cu bonded to two S-CH (Formula presented.) groups and one BDC linker, while carboxylate groups adopt a bridging coordination mode. This unique arrangement not only imparts remarkable structural stability but also enhances the electronic properties of the MOF, as evidenced by a narrow bandgap of 1.203 eV that facilitates efficient charge transfer and increased electrochemical current density in CO (Formula presented.) RR. Notably, it offers a Faradaic efficiency of 92% for formate at an overpotential as low as −0.4 V versus the reversible hydrogen electrode (RHE) in an aqueous electrolyte of 1 m KOH, as well as a current density of −25.8 mA cm² at −0.9 V versus RHE, averaged over 24 h of electrolysis. This study highlights a fresh perspective in the field of MOF electrocatalysts by demonstrating that engineering the metal coordination environment can significantly enhance the electronic properties and consequently improve the electrocatalytic performance of these materials.

2D materials, characterized by their extensive surface area and customizable chemical and electronic properties, offer compelling advantages as advanced materials. These unique attributes pave the way for the development of next-generation electronics and optoelectronics, photo- and electro-catalysis, energy storage and conversion devices, and sensors. The most prominent and commonly available 2D transition metal dichalcogenide, molybdenum disulfide (MoS₂), has already shown its potential for advanced applications. However, its relatively unfavorable electronic structure and limited intrinsic conductivity lower its suitability for applications that require high conductivity, such as electrocatalysts. One way to enhance its conductivity is by electrochemically intercalating alkali metal ions, e.g., Na⁺ and K⁺, into its layered structure, potentially adjusting its electronic structure. Here, we present a comprehensive investigation into the atomic-scale intercalation mechanism using molecular dynamics simulations, complemented by experimental analysis of structural and electronic properties at the macro scale through various characterization techniques. It is demonstrated that the hydration shell of ions serves as an energy barrier to intercalation as it undergoes a structural change during the intercalation. When alkali metal ions are intercalated into MoS₂, they introduce more defects and enhance conductivity. Notably, these effects are more pronounced for potassium than for sodium.

In the search for effective high-tech materials for energy conversion and storage devices, spinel-structured nickel ferrite (NiFe₂O₄) has been identified as a promising anode material for lithium-ion batteries (LIBs). However, the influence of different morphologies and surface properties of NiFe₂O₄ nanoparticles on battery performance is hardly addressed. To understand the effect of different morphologies and surface properties on the lithium-ion storage performance, NiFe₂O₄ nanoparticles were synthesized through four different synthesis conditions: NFO-S, NFO-U, NFO-G, and NFO-C. The formation of polycrystalline inverse spinel NiFe₂O₄ was confirmed through XRD, FTIR, and Raman spectroscopy. The morphologies of the obtained samples were studied using FESEM, and it was found that the four different synthesis conditions employed here enabled us to obtain NiFe₂O₄ with four different morphologies. The surface chemistry, surface area and porosity of the NiFe₂O₄ samples were respectively characterized using XPS and BET. The electrochemical performance of the four NiFe₂O₄ samples as anode material was studied by fabricating lithium-ion half-cells. NiFe₂O₄ sample obtained from surfactant-free synthesis condition (NFO-S) displayed a high initial discharge and charge capacity of 2258 mAh/g and 1815 mAh/g, respectively at the current density of 100 mA/g. Even after 100 cycles, NFO-S showed a better discharge capacity of 116 mAh/g at the current density of 100 mA/g, compared to the other samples studied here. The observed higher capacity of the NFO-S sample is attributed to the higher surface area (40.8 m²/g) and pore volume (0.190 cm³/g). The NiFe₂O₄ sample prepared with cationic CTAB surfactant (NFO-C) showed better cyclic stability with a stable coulombic efficiency of 98.5% at the 100th cycle, mainly attributed to its nanocube morphology with lower surface area (16.1 m²/g) and pore volume (0.087 cm³/g).

In the pre-reduction cyclone of the HIsarna process, both thermal decomposition and gas reduction of the injected iron ores occur simultaneously at gas temperatures of 1723–1773 K. In this study, the kinetics of the thermal decomposition of three iron ores (namely OreA, OreB and OreC) for HIsarna ironmaking were analysed as an isolated process with a symmetrical thermogravimetric analyser (TGA) under an inert atmosphere. Using various methods, the chemical and mineralogical composition, particle size distribution, morphology and phase distribution of the ores were analysed. The ores differ in their mineralogy and morphology, where OreA only contains hematite as iron-bearing phase and OreB and OreC include goethite and hematite. To obtain the kinetic parameters in non-isothermal conditions, the Coats–Redfern Integral Method was applied for heating rates of 1, 2 and 5 K/min and a maximum temperature of 1773 K. The TGA results indicate that goethite and hematite decomposition occur as a two-stage process in an inert atmosphere of Ar. The proposed reaction mechanism for the first stage of goethite decomposition is chemical reaction with an activation energy ranging from 46.55 to 60.38 kJ/mol for OreB and from 69.90 to 134.47 kJ/mol for OreC. The proposed reaction mechanism for the second stage of goethite decomposition is diffusion, showing an activation energy ranging between 24.43 and 44.76 kJ/mol for OreB and between 3.32 and 23.29 kJ/mol for OreC. In terms of hematite decomposition, only the first stage was analysed. The proposed reaction mechanism is chemical reaction control. OreA shows an activation energy of 545.47 to 670.50 kJ/mol, OreB one of 587.68 to 831.54 kJ/mol and OreC one of 424.31 to 592.32 kJ/mol.