Molybdenum disulfide (MoS ₂) has emerged as a promising electrocatalyst for the electrochemical reduction of CO ₂, primarily yielding carbon monoxide. However, product selectivity is known to be highly sensitive to structural features such as edge termination and defect density. In this work, we report the formation of higher hydrocarbons (C ₂+ products) enabled by the presence of inherent sulfur vacancies in MoS ₂ when combined with various ionic liquids as co-catalysts. While MoS ₂ has traditionally shown limited hydrocarbon output, our findings demonstrate for the first time that native defect sites, interacting synergistically with the electrolyte environment, can facilitate the production of significant amounts of C ₂+ species. These results provide new insights into defect-mediated catalytic pathways and highlight the importance of electrolyte design in tuning product distribution during CO ₂ electroreduction.

2D borophene has long been proposed as a promising hydrogen storage material, but experimental demonstrations remain limited to boron hydride sheets derived from MgB₂. Here, we report the synthesis of potassium-doped borophane (BH) nanosheets, which serve as a high-capacity, reversible hydrogen storage platform and metal-free reducing agent. Through selective hydride transfer, the BH sheet efficiently converted levulinic acid (LA) to γ-valerolactone (GVL) under mild reaction conditions. Density functional theory (DFT) predicts a theoretical hydrogen content of 4.2 wt.% for the potassium-doped BH sheet. Remarkably, the dehydrogenated BH sheets can be partially regenerated under 50 bar H₂, demonstrating reversible hydrogen storage. This work serves as an experimental validation for alkali-metal-modified borophanes acting as a multifunctional material for hydrogen storage and transfer, opening avenues for sustainable energy and other applications.

Silicon is a promising alternative to the conventional graphite anodes due to its high theoretical capacity and favorable lithiation potential for lithium-ion batteries (LIBs) with liquid as well as solid-state electrolytes. However, lithiation-induced extreme volume change causes severe mechanochemical deformation and continuous formation of solid-electrolyte interphase leads to cell failure. One of the strategies to mitigate this problem is alloying silicon with a suitable element that can alter the surface electrochemistry and/or lithiation pathways, and acts as mechanical buffer. Nonetheless, these benefits come with a compromise on the specific capacity, which strongly influences the mass loading of the electrodes, highlighting the need to deconvolute the intertwined influence of composition and mass loading when designing high performance electrodes. In this work, we systematically studied the influence of composition and mass loading in monolithic amorphous silicon and non-stoichiometric silicon nitride (SiN_x) electrodes on their electrochemical performance as LIB anodes. The incorporation of nitrogen in the electrode matrix clearly improves the electrochemical stability at the expense of reduced specific capacity, while higher mass loading accelerates capacity fading, most critically in amorphous silicon electrodes. Postmortem analysis reveals that such capacity fading in the electrodes with higher mass loading can be related to delamination due to evolved tensile stress during the charge–discharge cycle. Yet, nitrogen-rich SiN_x monolithic electrodes accommodate strain more effectively. These findings demonstrate that while pristine Si delivers high specific capacity and long-term stability in thin films, thicker (>1 µm) monolithic electrodes benefit from higher nitrogen content in SiN_x, which provides more stable cycling and sustained capacity.

Nickel coatings are widely used for corrosion and wear resistance, often undergoing post-treatment to enhance performance. Depending on their final application, Ni-coated steel may be subjected to mechanical forming processes to produce cylindrical can shapes, commonly used as battery cases or food storage containers where corrosion resistance is critical. Before mechanical forming, a key thermomechanical process called temper rolling is applied to improve coating adhesion, reduce residual stress, and minimize surface defects. This study systematically investigates the corrosion mechanisms of Ni-electroplated steel after annealing and temper rolling, demonstrating that both processes enhance localized corrosion resistance by modifying microstructure, surface morphology, and surface oxide evolution. These treatments promote passivity by increasing NiO content relative to Ni(OH)₂, significantly improving charge transfer resistance. Additionally, iron diffusion from the steel substrate generates an electrical surface potential gradient within the coating, affecting nobility variations across different regions. Post-corrosion analysis of temper-rolled samples reveals that corrosion initiation occurs at submicron grains, where structural gaps facilitate substrate exposure, underscoring the role of processing routes in enhancing coating durability.

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.

Optimizing the deposition parameters in the fabrication of passivating contacts for crystalline silicon solar cells is critical for improving efficiency. This study explored the influence of varying RF power of Plasma-Enhanced Chemical Vapor Deposition (PECVD) on the quality of hydrogenated intrinsic amorphous silicon ( a-Si:H) films. The aim is to manufacture in-situ phosphorous-doped poly-Si/SiO_x/c-Si passivating contacts with a-Si:H as buffer layer between the tunnelling oxide and the n-type poly-Si. The microstructure factor of our intrinsic layers increases from 0.176 to 0.804, that is from higher to lower film density, as the RF power increases from 5 W to 55 W. Analysis using X-ray Photoelectron Spectroscopy and Optical Microscopy indicates that the Si content in SiO_x is correlated with the formation of pinholes. Our detailed analysis showed that varying the RF power when depositing a-Si:H contacting layer is crucial in altering both the Si⁴⁺ content in SiO_x and the pinhole density, due to the interplay between the plasma etching and the buffering effects during of the a-Si:H layer growth. Notably, the sample processed with 25 W exhibited the maximum pinhole density, the lowest Si⁴⁺ content in SiO_x and the deepest phosphorus in-diffusion, potentially yielding superior results in passivation quality and contact resistivity under optimized PECVD conditions.

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).

We present a mechanically robust, cost-effective, and scalable ultra-superhydrophobic ceramic-polymer composite coating featuring a hierarchical micro/nano-structured surface. This advanced coating, fabricated via a single-step process, integrates alumina (Al₂O₃) and zirconia (ZrO₂) to harness their individual and synergistic effects, achieving an extreme water contact angle of 180° and a sliding angle of 1°. The coating demonstrates strong adhesion and compatibility with a wide range of substrates, including aluminum and concrete. The Al₂O₃–ZrO₂-based composite exhibits outstanding physicochemical properties, including ultra-superhydrophobicity, anti-icing, anti-corrosion, and anti-vapor condensation capabilities. It also maintains excellent non-wetting behavior across a variety of liquids. Comprehensive surface analyses, encompassing microstructural, morphological, and chemical characterization, underscore the critical role of hierarchical structuring and tailored surface chemistry in enhancing functionality. Mechanical durability assessments reveal that the coating retains its superhydrophobic performance even after extensive scratching test. Moreover, it exhibits self-cleaning, anti-adhesion, and anti-fouling characteristics, attributed to its engineered surface texture and the synergistic contributions of Al₂O₃–ZrO₂ heterojunctions and oxide-silane bonding (Si–O–Si and Si–OH). This multifunctional ceramic-polymer coating addresses key challenges in large-scale deployment by offering a streamlined, scalable fabrication method and versatile performance, positioning it as a promising solution for diverse industrial applications.

Electrochemical CO₂ reduction (CO₂R) to chemicals and fuels has made tremendous progress since the introduction of gas diffusion electrodes (GDEs) to overcome mass-transfer limitations and enable industrial-scale current densities. The advancement in the field, however, has come with new challenges that are related to the stability and degradation of the GDE due to flooding issues, which currently hinder the scale-up. Here, we investigated the effect of six different binding materials (Nafion, polytetrafluoroethylene, Fumion, Pention, poly(vinyl alcohol), and polypyrrole) on the stability and performance of Ag-based GDEs for CO₂R to CO in alkaline media. All binders show a decrease in the Faraday efficiency (FE) of CO and increase in hydrogen evolution reaction over time. The most hydrophilic GDE based on polypyrrole can uphold a higher FE of CO for longer times, which is contrary to a common belief that low wettability is required for long-term stability. By using a range of tools (SEM-EDX, SEM-FIB, X-ray diffraction, and contact angle measurements) for the postelectrolysis characterization of the GDEs, we show that the performance loss is related to flooding, bi(carbonate) precipitation, and catalyst agglomeration. These results contribute to a better understanding of the stability issues in GDE-based CO₂ electrolyzers.

Titanium dioxide (TiO₂) has been widely used as a photocatalyst in CO₂ reduction reaction (CO₂RR) due to its low cost, high stability, and strong absorption in the close-to-visible ultra-violet (UV) range. However, TiO₂ films suffer from poor selectivity in CO₂ reduction due to their unfavorable electronic properties. In this work, we address this challenge by fabricating ultra-thin (14 nm) defective TiO₂ films (TiO₂-DTF) to enhance the selectivity of CO₂RR towards formate. TiO₂ sol was prepared using a facile and reproducible sol-gel method and directly deposited onto the surface of the electrode, forming a uniform, ultra-thin TiO₂ layers with a high number of defects. The activity of the TiO₂-DTF catalyst was studied in both photochemical and photoelectrochemical CO₂RR, indicating that the applied potential increases both the yield and selectivity of CO₂RR to formate. The TiO₂-DTF photocathode exhibited remarkable formate production during CO₂ reduction, achieving exceptional Faradaic efficiencies of up to 45 %. To elucidate the mechanism of photoelectrochemical CO₂RR on TiO₂-DTF, an in-situ attenuated total reflection Fourier-transform infrared spectroscopy (in-situ ATR-FTIR) was used and experimental results were supported by density functional theory (DFT) calculations. This study demonstrates that ultra-thin highly defective TiO₂ film, prepared using the cost-effective and environmentally friendly sol-gel method, can be used as photoelectrocatalyst for CO₂ reduction.