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Article
Chemistry and Materials Science
Materials Science and Technology

Magda Anna Stefanescu

,

Barbara Traenkenschuh

,

Olivier Messé

,

Bernhard Christian Seyfang

Abstract: This study investigates the corrosion behavior of a WC-6Co cemented carbide (94 wt% WC, 6 wt% Co) in acidic (pH 2) and alkaline (pH 13) aqueous environments, with em-phasis on implications for reconditioning processes. Both electrolytes, characterized by their high electrical conductivity, are used in industrial electrochemical stripping of PVD coatings. While acidic electrolytes are already established for stripping coatings from hard metal substrates, the influence of the alkaline electrolytes on substrate integrity remains insufficiently explored, especially considering the implication of reconditioning. Elec-trochemical characterization was performed using potentiodynamic polarization method, followed by surface analysis via SEM, EDX, and laser confocal microscopy. Two distinct corrosion mechanisms were identified, corresponding to the respective pH conditions and consistent with predictions from Pourbaix diagrams. In acidic media, cobalt dissolution occurred alongside strong passivation of tungsten through the formation of WO₃. In contrast, under alkaline conditions, tungsten formed soluble tungstate ions (WO₄²⁻), leading to progressive leaching of WC grains, while cobalt exhibited passivation via a Co(OH)₂ layer, mitigating binder degradation. Within the scope of this work, electrolytes used for electrochemical stripping were examined. The investigation focused on their corrosive impact on uncoated hard-metal substrates under electrochemical stripping conditions, as these become exposed to both the electrolyte and applied potential once the coating is removed. Coating removal itself was not addressed. A key finding is that oxide or hydroxide passivation on cemented carbides does not inherently guarantee protection. Its effectiveness depends strongly on the nature of the formed layer. In the acidic elec-trolyte, pseudo-passivation by formation of WO₃ layer initially inhibits corrosion but leads to significant material loss upon its breakdown. These findings provide valuable guidance for the application of cemented carbides in electrochemical stripping processes used for PVD coating removal.

Article
Chemistry and Materials Science
Materials Science and Technology

Alexander Haynack

,

Thomas Kränkel

,

Christoph Gehlen

,

Jithender J. Timothy

Abstract: This study presents a distribution-optimized mesostructure estimation method for modeling near-surface aggregate size distributions in concrete by optimizing the spatial arrangement of polydisperse spherical aggregates with respect to formwork boundaries. The approach is based on minimizing the deviation between a generated cumulative aggregate volume function and an idealized linear target function corresponding to a constant area fraction along the specimen depth. To enable efficient computation for systems containing a large number of aggregates, grain size classes derived from the grading curve are represented using symmetric Beta distributions, allowing each group to be described by a single shape parameter. The resulting optimization problem is solved using a derivative-free Powell algorithm. The method inherently captures wall effects, leading to a migration of smaller aggregates toward the specimen boundaries to compensate for geometric constraints of bigger aggregates. Experimental validation was performed by determining the depth-dependent mean bulk density of a concrete cube using incremental surface grinding combined with high-resolution 3D laser scanning. The optimized mesostructure shows strong agreement with measured density profiles, significantly improving over a non-optimized distribution. Furthermore, increasing aggregate volume fractions intensify near-surface accumulation of fine particles. The proposed method provides a computationally efficient framework for incorporating wall effects into mesoscale concrete models.

Article
Chemistry and Materials Science
Materials Science and Technology

Jonathan Kae

,

Constantinos D. Zeinalipour-Yazdi

Abstract: In this study we show that on the basis of simple crystallographic rules applied to the sphere-in-contact model/theorem that we can predict that under ambient conditions of pressure and temperature that the most dense and stable form of lithium in GICs is LiC6 and that two distinct form of LiC8 are possible. We find that other empirical formulas such as MC2, MC3 and M3C8 are possible based on crystallography, but not stable based on intercalate repulsions. The results are based on the unit cell description of GICs with the sphere-in-contact model/theorem that is used to model the intercalation of an arbitrary atom within the AαAα stacking1 of two graphene layers in GICs. We calculate the density and the packing fraction of these materials. This approach offers a simple description of the structure of GICs in which the unit cell can be defined and the diffusion of ions can be estimated on the basis of the void space in these materials. We anticipate that this simple description of GIC will be useful for the rational design of new graphite-based materials that can find use in various energy storage applications such as ion-based batteries but also as an educational tool in which university level education in materials and surface chemistry is directly connected to basic laws in chemistry, physics and mathematics.

Article
Chemistry and Materials Science
Materials Science and Technology

Heji Luo

,

Huifang Liu

,

Simin Liu

,

Haiyan Wang

,

Lingling Liu

,

Xibao Li

Abstract: The development of efficient, stable, and sustainably-synthesized photocatalysts for solar-driven hydrogen production remains a critical challenge. Here, we report a novel, green coprecipitation route for the synthesis of calcium-doped zinc oxide (Ca-ZnO) nanosheets, utilizing cactus juice as a natural, multifunctional precipitation medium. This method enables the in-situ incorporation of 3-7% Ca2+ ions into the wurtzite ZnO lattice without the need for harsh chemical agents. Comprehensive analysis confirms that Ca2+ substitutionally replaces Zn2+, preserving the crystal structure while inducing a uniform nanosheet morphology. This doping strategy effectively modulates the electronic band structure, progressively narrowing the bandgap from 3.19 eV to 2.90 eV and significantly enhancing visible-light absorption. Crucially, the incorporation of Ca2+ also generates oxygen vacancies, which act as efficient electron traps to suppress charge recombination. The optimized 5%Ca-ZnO photocatalyst demonstrates an exceptional hydrogen evolution rate of 889 μmol·g-1·h-1 under visible light, with outstanding stability, retaining 94.8% of its activity after four cycles. This work not only presents a high-performance material but also establishes a paradigm for the sustainable design of advanced semiconductor photocatalysts.

Review
Chemistry and Materials Science
Materials Science and Technology

Abniel Machín

,

Francisco Márquez

Abstract: Sodium-ion batteries (SIBs) have emerged as one of the most promising alternatives to lithium-ion systems, driven by the abundance and low cost of sodium resources as well as the urgent demand for sustainable large-scale energy storage. In recent years, re-markable advances have been achieved in electrode materials, electrolytes, and inter-facial engineering, which have significantly improved the electrochemical performance of SIBs. Hard carbons and alloy-type anodes have shown encouraging progress in balancing capacity and stability, while layered oxides, polyanionic compounds, and Prussian blue analogues are leading candidates for cathodes due to their structural diversity and tunable redox properties. Concurrently, the development of advanced liquid and solid electro-lytes, together with strategies to control the solid–electrolyte interphase (SEI) and cathode–electrolyte interphase (CEI), is enhancing safety and long-term cycling. Despite these achievements, critical challenges remain, including limited energy density, volumetric expansion in alloying anodes, interfacial instability, and scalability issues. This review provides a comprehensive overview of the fundamental principles, recent material in-novations, and failure mechanisms of SIBs, and highlights the current status of industrial progress led by companies such as Faradion, HiNa Battery, CATL, and Tiamat. Finally, future perspectives are discussed, emphasizing the role of sodium-ion technology in grid-scale storage, renewable energy integration, and sustainable battery recycling. By bridging academic advances and industrial development, this article outlines the roadmap toward the commercialization of sodium-ion batteries.

Review
Chemistry and Materials Science
Materials Science and Technology

Adriele Todero

,

Paloma Reatto

,

Fabiana Pereira

,

Alexander Junges

,

Rogério Dal Lago

,

Marcelo Mignoni

Abstract: This review explores the catalytic conversion of carbon dioxide (CO2) into glycerol carbonate (GC), positioning this pathway as a sustainable strategy that couples environmental mitigation with the valorization of surplus glycerol from biodiesel production. Glycerol carbonate maintains extensive industrial utility as a green solvent, chemical intermediate, and functional component in polymers, cosmetics, and packaging. Distinct from prior literature, this study systematically integrates the evaluation of catalysts derived from agro-industrial waste and hybrid catalytic systems, correlating their structural architectures with catalytic efficiency. The review evaluates diverse catalytic frameworks, with a primary focus on heterogeneous systems. Silica-based materials are highlighted, particularly those synthesized from rice husk ash, an abundant amorphous silica source. The sol–gel method is identified as a robust route for engineering porous matrices with high surface areas and tunable structural properties. Furthermore, the doping of silica with metal oxides, such as niobium oxide (Nb2O5) and nickel oxide (NiO), is discussed as a strategic approach to introduce synergistic acid–base sites and redox properties that facilitate CO2 activation. The integration of ionic liquids into hybrid systems is also examined as a promising frontier to enhance reaction kinetics and selectivity. Finally, this review delineates the nexus between agro-industrial waste management and the reduction of greenhouse gas emissions, proposing a circular economy framework for the biodiesel value chain.

Article
Chemistry and Materials Science
Materials Science and Technology

Mubarak Ali

Abstract: Both heat and photon energy are integral parts of scientific research. The study of the photon and the electron does not present up-to-date science in some phenomena. A misconception falls at the basic level. To eliminate the misconception, a discussion presents the electron dynamics in the silicon atom. The electron executes confined interstate dynamics for one forward or reverse cycle. As a result, the resulting shaped force-energy defines a unit photon. That unit photon has a shape similar to a Gaussian distribution with turned ends. A featured photon can interact with the side of a laterally orientated electron (of a semisolid or solid atom) to possibly convert into heat energy. When a featured photon interacts with the tip of a laterally oriented electron, that photon can convert into energy bits. The shapes of energy bits are similar to integral symbols. The reference point for the electron executing confined interstate dynamics is the center of a silicon atom. The north-south tips of the electrons align along the north-south poles. The energy shapes around the force tracing along the trajectory of electron dynamics. To execute confined interstate dynamics, forces of the two poles appear conservatively for turning the electron each time. The outer ring electron of the silicon atom reaches the ‘maximum limit point’ during the confined interstate dynamics. There is energy of one bit. In the remaining half cycle, that electron also generates energy of one bit. The electron dynamics of the silicon atom generate photons of a wave shape. Atoms of some other elements generate photons other than wave shapes. The execution of the electron dynamics is nearly at the speed of light. In addition to energy science, the study is useful in physical and chemical sciences.

Article
Chemistry and Materials Science
Materials Science and Technology

Vera La Ferrara

,

Marco Martino

,

Antonio Marino

,

Giovanni Landi

,

Silvano Del Gobbo

,

Nicola Lisi

,

Rosanna Viscardi

,

Alberto Giaconia

,

Giulia Monteleone

Abstract: Mixed-halide perovskite solar cells with the composition Cs0.1(MA0.17FA0.83)0.9Pb(I0.83Br0.17)3 were fabricated obtaining solar cells as glass/ITO/SnO2/triple cation perovskite/HTL/Au, subsequently used as photoanodes for efficient solar-driven water splitting by applying commercial catalytic nickel foils onto the Au back-contact pads of devices. To enable operation under alkaline media the de-vices were encapsulated using commercial PET–EVA multilayer films, providing a ro-bust barrier while leaving the Ni foils exposed as the electrochemically active interface. Two operating configurations were investigated and compared: (i) an outside configu-ration, where the perovskite solar cell powered an external electrochemical cell, and (ii) an immersed configuration, in which the encapsulated device was directly integrated into the electrolyte. In particular, the oxygen evolution reaction onset shifted from ~1.32 V vs RHE, when the Ni electrode was not powered by the perovskite absorber, to ~0.34 V vs RHE when the perovskite device powered the nickel foil for both immersed and outside configurations. The IS device achieved a maximum Applied Bias Photon-to-Current Ef-ficiency of ~20% under AM 1.5G illumination (100 mW cm⁻²), among the highest reported for perovskite-based photoanodes.

Article
Chemistry and Materials Science
Materials Science and Technology

Eriketi Loizidou

,

Deepshikha Deepshikha

,

Constantinos D. Zeinalipour-Yazdi

Abstract: In this study we explore various non-destructive methods for the determination of density of 27 non-porous natural stones. Among the methods investigated the most accurate method was found to be the mass-based suspension method that uses Archimedes principle, with costs of equipment less than 20$. We have used this density measurement method to measure densities of natural stones and copper reference cube in the range of 1.07 – 8.93 g×cm-3, for stones that have volumes less than 16.4 cm3. The measurement are in excellent agreement with more precise methods that use a 4 decimal place analytical balance. The measurement uncertainty of the method was assessed with a Cu density reference cube and was found to be of the order of 0.1% in measuring the volume of stones with arbitrary shape. Finally, we provide details of the design features of a new liquid-based pycnometer that can measure the density of irregular shape natural stones without the need to form a powder. This pycnometer can also be used to measure density changes in liquids as a function of temperature and solute concentration.

Review
Chemistry and Materials Science
Materials Science and Technology

Ivan Kodrin

,

Ivana Biljan

Abstract: Rising atmospheric CO2 levels have increased the demand for robust, scalable adsorbents for practical CO2 capture and separation. Porous organic polymers (POPs) are attractive candidates because their pore architecture and binding site properties can be precisely tuned via building blocks and linkage formation. This review summarizes experimental and computational studies of azo-linked POPs and, more broadly, nitrogen-nitrogen (N−N) linked systems, emphasizing how synthetic routes, building blocks, and framework topology govern CO2 uptake. We highlight key synthetic strategies and representative systems, including porphyrin-azo networks, and discuss the relatively sparse experimental literature on alternative N−N linked POPs incorporating azoxy and azodioxy motifs. Emphasis is placed on reversible nitroso/azodioxide chemistry as a potential pathway to ordered porous organic materials. Computational studies provide a practical route to connect structure with adsorption behavior in largely amorphous or partially ordered networks. We review hierarchical workflows combining periodic DFT and electrostatic potential properties, grand canonical Monte Carlo (GCMC) simulations and binding-energy calculations to rationalize trends and identify favorable binding environments. Computational findings demonstrate that pore accessibility and stacking models can strongly influence predicted CO2 adsorption. This review provides guidelines for designing POPs with enhanced CO2 adsorption, offering an outlook and discussing challenges for future studies.

Article
Chemistry and Materials Science
Materials Science and Technology

Xiaowen Zhang

,

Juan Pablo Gevaudan

Abstract: Performance variability in MgO-based cements stems partly from poorly characterized dissolution kinetics of commercial lightly burned magnesia (LBM). Existing studies focus on high-purity materials under acidic conditions, but LBM dissolves also in alkaline condition where Mg(OH)2 precipitation prevents reliable sampling at high pH. We validated pH monitoring against ICP-AES for tracking initial LBM dissolution kinetics across pH 2.0-11.0 and temperatures 25-85°C. Commercial LBM (32 m2/g, 7.5 wt% CaO) exhibited rates one to two orders of magnitude higher than synthetic magnesia (10−8 to 10−12 mol/cm2·s). X-ray diffraction, electron microscopy with energy-dispersive spectroscopy, and BET analysis revealed enhanced reactivity from poor crystallinity, multiphase composition, and high surface area with textural porosity. Temperature effects peaked at 75°C before declining due to Mg(OH)2 passivation. The validated method provides practical guidance for MBC quality control and performance optimization.

Article
Chemistry and Materials Science
Materials Science and Technology

Shicheng Sun

,

Xiaonan Wang

,

Peiquan Xu

,

Leijun Li

Abstract: Due to faster charging, longer charge–discharge cycles, and broader operating temperature ranges, electrochemical supercapacitors (ES’s) can be used in electric vehicles, electronic devices, and smart grids. NiCo2O4@CC and NiCo2S4@CC composites were synthesized using a two-step hydrothermal method without organic binders on a carbon cloth substrate. NiCo2O4@CC was successfully synthesized through a hydrothermal reaction at 160 °C for 16 h and annealing at 350 °C for 2 h. NiCo2S4@CC was successfully synthesized through a hydrothermal reaction at 160 °C for 16 h, followed by a reaction at 120 °C for 14 h and annealing at 350 °C for 2 h. Annealing was found to make the structure of the loaded compound more stable, which was beneficial in preventing shedding of the active substance. The synergistic effect between polymetals, nanoparticles, porosity and high conductivity of carbon cloth improved the electrochemical performance. The specific capacitance of the NiCo2S4@CC sample at the current density of 1 A/g was about 1.5 times that of the NiCo2O4@CC sample. The electrolyte entered the voids due to the irregular arrangement of needle-like NiCo2S4, which enlarged the contact area between the ions in the solution and NiCo2S4@CC, resulting in an increase in the specific capacitance. A preferred irregular arrangement of nanostructure, sulphur substitution for oxygen atom, and the formation of more active sites can be assumed to be the underlying mechanism. The high flexibility of NiCo2S4@CC enables it to be further used to provide a stable power supply for wearable and portable electronic devices.

Article
Chemistry and Materials Science
Materials Science and Technology

Taifeng Zhang

,

Jinsheng Sun

,

Kaihe Lv

,

Jingping Liu

,

Lei Nie

,

Yufan Zheng

,

Yuanwei Sun

,

Ning Huang

,

Delin Hou

,

Han Yan

+1 authors

Abstract:

In this study, a thermally crosslinking clay-free weak gel water-based drilling fluid based on salt-responsive polymers and crosslinking agents was investigated, a promising and feasible strategy. Firstly, a salt-tolerant polymer was synthesized using N, N-dimethylacrylamide (DMAA), [2-(methacryloyloxy)ethyl]dimethyl-(3-sulfonopropyl) ammonium hydroxide (DMAPS), and acrylamide (AM). BPEI10000 was selected as the thermal crosslinking agent. The optimal crosslinking could be achieved at 180 °C and 36% NaCl when the RMFL concentration was 2.0%, and the BPEI10000 concentration was 0.1%. Performance evaluation demonstrated that the crosslinking between RMFL and BPEI10000 could enhance the AV, PV, and YP of the RMFL(BPEI10000)/CF-WBDFs after aging at 180 °C for 16 h, and reduce FLAPI. The RMFL(BPEI10000)/CF-WBDFs exhibited appropriate shear-thinning behavior, viscoelasticity, thixotropy, and recoverable viscosity under high-temperature, high-salinity, and high-pressure conditions. Mechanism analysis revealed that RMFL and BPEI10000 could form a predominantly negatively charged, three-dimensional crosslinking weak gel at high temperatures. The crosslinking weak gel could form dense filter cakes, improving rheological properties and reducing filtration loss of CFWBDFs in high-temperature, high-salinity environments. This paper proposed a novel method to address the technical challenge of rheological performance failure of CFWBDFs, offering valuable insights for subsequent investigations.

Article
Chemistry and Materials Science
Materials Science and Technology

Thomas Poirier

,

Dylan Evans

,

Ishika Thakur

,

Morgen Smith

,

Placidus Amama

,

Gaihua Ye

,

Rui He

,

James Edgar

Abstract: In this study, the growth of high-quality graphite single crystals from a molten metal flux at atmospheric pressure was optimized. The crystals were precipitated from a saturated iron-carbon solution by slowly cooling (4 °C/h) from a maximum temperature to reduce the carbon solubility. The graphite flakes were >25 square millimeters in area and >10 of microns thick, with individual crystal grains as large as 1.2 mm2. The crystals were (0002) oriented, as determined by x-ray diffraction. The high structural quality of the graphite crystals was verified by Raman spectroscopy. For graphite with the natural distribution of carbon isotopes, the G-peak at 1580 cm-1 was narrow (~12 cm-1) and the defect peak (D-peak) was absent. To demonstrate the process versatility, graphite crystals enriched in the 13C isotope were grown. The Raman peak shifted to 1520 cm-1 for graphite crystals en-riched to 99% 13C. The etch densities from defect sensitive etching ranged from 0 to 1.6x108 etch pits per cm2. The process was refined by examining the crystal size and quality as functions of the carbon concentration in the starting sources, the carrier gas composition, and maximum temperature. The simplicity of this process suggests it can be scaled to produce very large graphite crystals that would be suitable for a wide range of technologies.

Article
Chemistry and Materials Science
Materials Science and Technology

Stanislava Rabadzhiyska

,

Dimitar Dechev

,

Nikolay Ivanov

,

Nina Dimcheva

Abstract: In our study, magnetron-sputtered vanadium nitride (VN) films were grown on 304 L stainless steel in an Ar/N2 atmosphere at a substrate bias voltage of 0 V, –50 V, –100 V,–150 V and – 200 V. The as-deposited VN coatings were characterized by X-ray dif-fraction (XRD), Fourier-transform Infrared (FTIR) spectroscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). The XRD and FTIR analysis exhibited a presence of VN crystalline phases. AFM and SEM exhibited that a decrease in the thickness and surface roughness with increasing the bias voltage to – 200 V. The VN coating, obtained at – 100 V, indicated a high hardness of 36.2 GPa. It was carried out that the friction coefficient is remarkably dependent by the film surface roughness. The lowest friction coefficients (0.42 and 0.44) for a loading force of 2 N and 5 N was evaluated for VN film, deposited at – 200 V which indicate a high degree of wear re-sistance. The electrochemical tests revealed that VN films, grown at a bias voltage of 0 V and – 200 V, have the most reliable protection against corrosion in aggressive elec-trolytes.

Article
Chemistry and Materials Science
Materials Science and Technology

Svetlana Saikova

,

Diana Nemkova

,

Anton Krolikov

Abstract: Ultrasonic cavitation is a key mechanism in the dispersion and erosion of solid materials in liquids; however, the influence of processing conditions and medium properties on its efficiency in ultrasonic baths remains poorly systematized. Despite the widespread use of ultrasonic baths in materials processing, general optimization principles are lacking, and operating parameters are typically determined empirically for each system. In this work, cavitation activity was quantitatively assessed using an aluminum foil erosion test, with the foil clamped in a plastic frame to evaluate the mechanical effects of cavitation. The ef-fects of ultrasonic power, frequency, treatment time, temperature, solvent nature, and ves-sel material on the foil mass loss were systematically investigated. The results demon-strate that both the instrumental parameters and physicochemical properties of the dis-persion medium, including viscosity and surface tension, significantly affect the cavita-tion activity. Solvents with lower cavitation thresholds and favorable acoustic properties promote more intense erosion, while the vessel material and geometry also influence en-ergy transmission to the liquid. This study provides a systematic framework for assessing the cavitation dose in ultrasonic baths and offers practical guidelines for optimizing ul-trasonic dispersion processes and improving their reproducibility.

Article
Chemistry and Materials Science
Materials Science and Technology

Sergio Martínez-Vargas

,

José-Enrique Flores-Chan

,

Humberto-Julián Mandujano-Ramírez

,

Salatiel Pérez-Montejo

,

Damián Calan-Canche

,

Cristobal Patino-Carachure

Abstract: Hydrogen (H2) was produced using recycled aluminum (Al), with particle sizes of 180-250 μm, 300-420 μm and 420-530 μm. A 1.0 M NaOH solution was employed to enhance aluminum dissolution and maximize hydrogen release. During a 30-minute evaluation, peak hydrogen flow rates of approximately 14, 16, and 23 ml/min were obtained, depending on particle size reduction. The H₂ flow behavior for the three size ranges can be divided into two distinct stages: the first corresponds to the initial contact between Al and the NaOH solution, where hydrogen production increases until reaching a maximum; the second stage follows, characterized by a gradual decline in H₂ generation to nearly zero toward the end of the test. These findings indicate that smaller particle sizes promote a more intense hydrogen release during the first stage, due to the higher aluminum dissolution rate, while in the second stage, production decreases significantly as the formation of an oxide layer slows down Al dissolution. For fuel cell applications, particle size and sample mass can thus be adjusted to regulate the desired hydrogen flow rate. XRD and SEM analysis demonstrated the consistency of the equations describing the hydrogen production reaction phenomenon in these aluminum-based equations.

Article
Chemistry and Materials Science
Materials Science and Technology

Teodora Matei

,

Gabriel Andrisan

,

Ioana-Laura Velicu

,

Georgiana Bulai

,

Mihai-Alexandru Ciolan

,

Felicia Gheorghiu

,

Marius Dobromir

,

Roxana Strungaru-Jijie

,

Vasile Tiron

Abstract: Given the increasing environmental degradation, this study investigates advanced ZnO-based materials for the mineralization of toxic compounds through the combined action of photo- and piezocatalysis. Two complementary strategies were employed to enhance catalytic efficiency. First, ZnO1-xNx thin films were deposited by reactive high-power impulse magnetron sputtering (R-HiPIMS) to reduce the band gap energy. Second, flower-like ZnO nanostructures were synthesized using the pulsed thermionic vacuum arc (TVA) technique to increase the specific surface area. Both systems were further modified by decoration with Ag₂O nanoparticles to improve charge separation. The materials were comprehensively characterized in terms of optical properties (UV–Vis spectroscopy), chemical composition and bonding (XPS), crystalline structure (XRD), surface morphology (FE-SEM), and photo-piezocatalytic performance. Catalytic activity was evaluated via the degradation of methylene blue (MB) under visible light irradiation and mechanical vibrations. Nitrogen incorporation in ZnO1-xNx thin films led to an increase in photocatalytic efficiency from 20% to 28.7%, while the simultaneous application of light and mechanical stimulation increased efficiency to approximately 50%. Under identical irradiation conditions, Ag₂O-decorated ZnO/ZnO1-xNx exhibited reaction rate constants up to 65% higher than bare counterparts, attributed to reduced electron–hole recombination. ZnO nanostructures achieved degradation efficiencies of 59%, rising to 88.3% with Ag₂O decoration under solar illumination for 120 min. When combined with mechanical vibrations, after 60 min, the degradation efficiencies reached 93% for ZnO and 98% for Ag₂O/ZnO systems. A photodegradation mechanism of Ag2O NPs decorated ZnO heterostructures was proposed.

Article
Chemistry and Materials Science
Materials Science and Technology

Bilguun Mend

,

Youngjun Lee

,

Jeong-Hwan Bang

,

Yong-Sik Chu

Abstract: The cement industry is one of the largest industrial sources of anthropogenic carbon dioxide (CO2) emissions, with clinker production representing the most energy- and carbon-intensive stage of cement manufacturing. Life cycle assessment (LCA) is widely used to quantify the environmental impacts of clinker production and to support benchmarking of energy use and greenhouse gas emissions. However, plant-level benchmarking studies based on real industrial operational data remain limited, and the relationship between energy efficiency improvements and overall climate change impacts is not always clearly resolved. In this study, the environmental performance of clinker production at a representative integrated cement plant is assessed using a cradle-to-gate LCA approach. The analysis is based on real industrial operational data and uses a functional unit of 1~t of Portland cement clinker. Life cycle inventory data are compiled for raw material inputs, energy consumption, and direct CO2 emissions, and the results are benchmarked against a harmonized literature-based reference dataset. Global warming potential (GWP) is evaluated using IPCC 100-year characterization factors. The results show that the case-study plant exhibits lower thermal energy demand (3162~MJ/t clinker) and electricity consumption (52.23~kWh/t clinker) compared to the literature benchmark. Despite these improvements in energy-related indicators, the total GWP of clinker production at the case-study plant (1010~kg~CO2-eq/t clinker) is comparable to the benchmark value (995~kg~CO2-eq/t clinker). Contribution analysis indicates that process-related CO2 emissions from limestone calcination dominate the total GWP, accounting for approximately 73\% of total emissions. These findings demonstrate that improvements in energy efficiency alone do not necessarily translate into proportional reductions in overall climate change impacts for clinker production. The study highlights the importance of harmonized benchmarking and underscores the need for mitigation strategies that directly address process-related emissions in order to achieve substantial reductions in greenhouse gas emissions in the cement industry.

Article
Chemistry and Materials Science
Materials Science and Technology

Xiangyan Su

,

Xiaolin Zhou

,

Minliang Gao

,

Dehua Wu

,

Hui Guo

,

Xuan Fang

,

Anqi Ji

,

Xingyu Chen

,

Xiaoqiong Zhang

,

Hehua Que

+13 authors

Abstract: The inherent temperature-dependent sublattice preference of constituent atoms in FCC_CoCuNi multi-principal element alloys (MPEAs) is theoretically predicted by combining a two-sublattice model based on the L12_AuCu3 prototype with computational thermodynamics, which extends beyond the commonly-believed, yet unreasonable randomly mixing solid solution hypothesis. Based on the predicted sublattice occupied fractions (SOFs) and available computer resource, two MPEAs atom distributing models with different sizes are established for different applications, respectively, where the bigger size model is further employed to analyze statistically the atom distributing character quantitatively and graphically, while the smaller size model is employed to study the lattice distortion of MPEAs further using first-principles calculations density functional theory. The atom distributing configurations of some representative heat treatment temperatures, as well as the hypothetical randomly mixing structure are compared. It is revealed that FCC_CoCuNi MPEAs exhibit strong temperature-dependent ordering behavior. The SOFs-based configurations are (Ni1.0000)1a(Co0.4445Cu0.4444Ni0.1111)3c, (Co0.0653Cu0.0721Ni0.8626)1a(Co0.4227Cu0.4204Ni0.1569)3c, and (Co0.1574Cu0.1593Ni0.6833)1a(Co0.3920Cu0.3913Ni0.2167)3c at 100 K, 900 K, and 1400 K, respectively. Overall, Ni atoms always prefer to 1a sublattice and the preference tendency reduce a little bit at considerable high temperatures. The configurational entropies of FCC_CoCuNi MPEAs increase with the increase of heat treatment temperature, while they are considerably lower than that of the hypothetical ideal random solid solution. Based on the atom distributing model of MPEAs, the local atomic cluster characteristics are further investigated by statistically analyzing the coordination numbers of the constituent atom coordinated with the same type of atoms. The radial distribution function (RDF) further verified the atom aggregating behavior. For most family of crystal planes in FCC_MPEAs, except {1 1 1}, there are obviously different atom distributing characters between the even and odd layers. The atom distributing model of some representative bulk structure and surface structure are afforded valuably for reference and application both in experimental and theoretical investigation further. Thus, rich and indispensable structural genome data are afforded for the further research and development of the promise FCC_CoCuNi MPEAs intensively.

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