Magnesium-based hydrogen storage alloys are promising candidates for solid-state hydrogen storage; however, room-temperature hydrogenation is often hindered by sluggish kinetics. Here, we develop an acetone-assisted ball-milling strategy to fabricate nanocrystalline Mg-rich Mg96Ni2Ce2 alloys that enable direct hydrogen absorption at ambient temperature without high-temperature activation. Acetone acts as a grinding aid to markedly refine particle size and increase grain-boundary density, while TiF3 triggers in situ reactions to form multiple stable, catalytically active phases. Consequently, the Mg-96 Ni-2 Ce-2 -Acetone-TiF3 composite absorbs > 3 wt% H-2 within 90 s and achieves a room-temperature hydrogen absorption exceeding 4 wt%. This mild and scalable approach accelerates H-2 dissociation, atomic diffusion, and hydride formation, providing a practical route toward ambient-temperature Mg-Ni-Ce-based hydrogen storage materials.

Despite the great interest in the safe and compact storage of hydrogen in the form of metal-hydrides, obtaining alloys capable of reversibly and rapidly storing large amounts of hydrogen at ambient conditions represents a challenge. High-entropy alloys (HEAs) have great potential for hydrogen storage (HS) applications because of their broad compositional design space. In this study, we designed and synthesized V35Ti35Cr10Fe20-xMnx (x = 6, 8, 10, 12, and 14) alloys based on high entropy engineering for room temperature HS. With an increase in the Mn/Fe ratio, the abundance of the body-centered cubic (BCC) phase gradually increased until the formation of a single-phase BCC-structured solid-solution alloy. The V35Ti35Cr10Fe6Mn14 alloy reached 3.79 wt.% of hydrogen absorption at 298 K, which is the highest capacity reported for HEAs. All alloys were fully activated in one hydrogen ab/desorption cycle and saturated with hydrogenation within 100 s. Quasi-in situ X-ray diffraction characterization of the hydrogenation of HEAs revealed a phase transition from BCC to face-centered cubic (FCC) with an intermediate pseudo-BCC structure. The cycling characteristics of the alloys evidenced that their stability gradually increased with decreasing Mn content. The microstructural analysis revealed that the capacity decay of HEAs during cycling is mainly caused by lattice deformation from repeated expansion and contraction. In addition, the HS properties of HEAs were investigated by a combination of first-principles simulation and experiments. Moreover, the thermal conductivity of the alloys was investigated. This work provides new perspectives for the design of HS alloys that can rapidly absorb large amounts of hydrogen under ambient conditions.

P2-type layered oxides are considered promising cathode materials for sodium-ion batteries owing to their high capacity potential and suitable operating voltage. However, their practical application is still limited by sluggish Na+ transport kinetics and insufficient long-term cycling stability. Herein, we propose a macro-to-micro structural regulation strategy that links microstructural design and facet regulation with local Na+/vacancy disordering. As a result, primary particles with a high proportion of exposed {010} active facets are closely packed and further assembled into a dense and uniform spherical secondary-particle architecture, thereby improving interparticle contact and preserving structural integrity. Meanwhile, local Na+/vacancy disordering facilitates Na+ extraction/insertion and improves Na+ transport kinetics, contributing to smoother charge/discharge profiles. Benefiting from this strategy, the P2-Na2/3Ni0.3Mn0.7O2 cathode prepared at 950 °C exhibits a high capacity retention of 94.06% after 300 cycles at 1C while maintaining a well-preserved particle morphology after cycling. Furthermore, selected-area electron diffraction, in situ X-ray diffraction, and focused ion beam analyses demonstrate that the optimized cathode possesses a locally disordered Na+/vacancy configuration, undergoes reversible P2 structural evolution, and maintains well-preserved particle integrity during cycling. This work highlights the synergistic correlation among secondary-particle architecture, primary-particle facet regulation, and local Na+/vacancy disordering, providing new insights into the rational design of high-performance P2-type layered oxide cathodes with enhanced Na+ transport kinetics and structural stability.

The human olfactory receptors are specialized to a narrow range of odorants. Ideally, an artificial olfactory sensor should possess one type of specific receptor to recognize a limited number of gaseous molecules. However, current artificial olfactory receptors remain constrained by poor selectivity due to the absence of specific molecular recognition mechanisms. Here, we developed biomimetic gas selective electrodes (GSEs) featuring a novel sensing mechanism, which leverages an enzyme/quantum dot (QD) framework to achieve molecularly specific recognition through the intrinsic chemical binding sites of the enzyme. Several enzymes, such as superoxide dismutase 1 (SOD1), polyphenol oxidase (PPO), formaldehyde dehydrogenase (FALDH), and alcohol oxidase (AOx), are immobilized on QDs for the selective detection of hydrogen sulfide, phenol, formaldehyde, and ethanol, respectively, across a background of 20 gases. QD surface ligands enhance sensitivity by stabilizing the QD-enzyme interface and promote electron transduction, thereby enhancing the overall sensing sensitivity. With this architecture, the GSEs exhibit excellent sensitivity and selectivity, achieving limits of detection (LODs) down to 3.27, 8.58, 27.7, and 51 ppb, even in mixed-gas environments. Multiscale simulations reveal the recognition mechanisms, and an equivalent circuit model guides sensitivity modulation. This biomimetic strategy advances artificial olfactory sensors for applications in medical diagnostics, environmental monitoring, wearables, and robotic olfaction.

Metal-organic framework (MOF) derived metal oxides and their composites have shown remarkable potential in enhancing the sensitivity and lowering the detection limits of gas sensors, emerging as promising candidates for volatile organic compound (VOC) detection. Here, the Pt-sensitized In2 O3 hollow microtubes were synthesized from MIL-68 via hydrothermal and sacrificial template methods, demonstrating exceptional trace detection capability (0.01-1 ppm) to p -xylene. The 2 % Pt NPs-In2 O3 showed the highest response of 68.7 at 50 ppb, with a theoretical detection limit as low as 0.027 ppb. The role of Pt was elucidated through comprehensive characterization, revealing that highly dispersed Pt nanoparticles form a well-defined interface with In2 O3 , enhancing gas adsorption, electron transfer, and reaction kinetics, thereby significantly boosting sensor performance. By integrating in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), this study provides fundamental insights into gas-solid interfacial sensing mechanisms, elucidating how Pt modulation enhances gas sensor performance at the molecular level. Additionally, the aging mechanisms of 2 % Pt NPs-In2 O3 sensors were explored through in situ characterization, revealing the evolution of surface morphology and gas adsorption capacity before and after aging under different conditions: 200 degrees C/0 % RH, 200 degrees C/50 % RH, and 250 degrees C/0 % RH for 20 days. These findings offer valuable guidance for improving the long-term stability and reliability of Pt-modified In2 O3 gas sensors. (c) 2026 Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences.

The development of high-performance solid-state electrolytes (SSE) is fundamental for the application of all-solid-state lithium metal batteries. Polycrystalline oxide SSEs have received widespread attention due to their good compatibility with lithium metal. However, the garnet-type Li7La3Zr2O12 (LLZO) SSE, a typical representative of oxide SSEs, still faces problems such as dendrite growth. To gain a comprehensive understanding of how the microstructure of LLZO-based solid-state electrolytes (SSEs) affects lithium deposition and dendrite growth, the LLZO SSE was doped and modified. The influence of its microstructure on Li-ion conductivity was further studied at the atomic scale through molecular dynamics simulations. The results show that the improvement of the performance of LLZO-based SSEs through doping strategies involves complex mechanisms at the microscopic level. A simplified polycrystalline model was developed based on the calculated conductivity, explicitly considering the influence of polycrystalline material microstructure on the material properties by combining the contributions of bulk phase and grain boundary (GB) conductivity. The results show that elemental doping has a non-monotonic effect on the material microstructure. Controlling the microstructure of solid electrolytes is of great significance to the development of polycrystalline SSE materials and provides theoretical guidance for the design of high-performance SSEs.

Gas insulated switchgear (GIS) optimizes the integration of all primary equipment in a substation, except for the transformer, and is widely used in power systems due to its strong insulation and high reliability. Once a fault occurs in GIS, it poses a significant threat to grid safety, necessitating the establishment of an effective early insulation condition assessment mechanism to prevent further deterioration of the fault. CO, HF, and SO2 are key characteristic gases reflecting GIS faults, and there is an urgent need for detection technologies that can monitor equipment status in real-time, accurately, and provide timely warnings. This study proposes the use of a differentiated sensor array combined with recognition algorithms to achieve precise detection of GIS fault gases. The WO3 modified with different amounts of Pt shows good gas-sensing performance for CO, HF, and SO2, with distinct responses. Based on an optimized four-sensor array and feature extraction algorithms, high-precision qualitative classification (98.04%) of CO, HF, SO2, and their mixed gases was achieved, with high R2 values in concentration prediction (0.9213 for CO, 0.9082 for HF, and 0.8947 for SO2). Furthermore, an in-depth study of the differentiation mechanism of the sensor array was conducted. Finally, the developed IoT electronic nose system successfully demonstrated the precise detection of GIS fault gases. This research not only proposes a new solution for GIS fault detection but also provides a “boost” for the development of electronic noses.

To improve the thermodynamic performance of auto-cascade absorption refrigeration (ACAR) systems driven by low-grade heat, a generator–condenser heat exchange coupled cycle (GCX-ACAR) is proposed. It utilizes condensation heat from non-azeotropic refrigerant mixtures at higher temperatures, enabling more effective internal heat recovery over a wider operating range. A thermodynamic model of the GCX-ACAR cycle is developed and validated, and the effects of key operating parameters, including high-side pressure, generation temperature, and absorption temperature, are systematically investigated. The results show that the new cycle significantly reduces generator heat input while maintaining comparable refrigeration capacity. A minimum refrigeration temperature of −105°C is achieved and the maximum coefficient of performance (COP) reaches 0.04, representing an improvement of 45%-114% compared with the conventional ACAR cycle. The enhanced performance is mainly attributed to the efficient utilization of temperature glide during the condensation process of non-azeotropic mixtures and the cascade recovery of condensation and rectification heat. The proposed cycle provides a promising pathway for improving the efficiency of low-grade heat-driven refrigeration systems and shows potential applications in LNG precooling and hydrogen liquefaction processes.

Rapid, reliable, and quantitative formaldehyde detection has become increasingly important in the processing industry and environmental protection. As an intelligent electronic instrument, the realization of electronic noses (e-noses) for quantitative gas detection relies on enhanced specificity. Here, we propose a materials-algorithm co-optimization (MACO) method that enables quantitative detection of formaldehyde in e-nose. This approach employs thermokinetic feature engineering to optimize data quality and algorithm selection, thereby reducing dependence on data scale and computing power resources. Specific thermokinetic activation patterns for formaldehyde can be generated through a single materials processing strategy. Through a combination of thermokinetic feature-driven machine learning, we demonstrated an e-nose-comprising only five Co3O4-based gas sensors-capable of discriminating formaldehyde from ethanol. The mathematical model reveals that the physicochemical mechanism of odor coding logic in our e-nose is dictated by the mass action law. A quantitative detection of formaldehyde in 0.1-20 ppm with a precision of 5% full-scale. has been demonstrated. We also showcase the adaptability of e-nose for binary mixture analysis. The detection model of the MACO-driven e-nose is simple and interpretable, showing broad prospects to achieve quantitative gas detection rapidly and at a low cost.

Electrochemical oxidation of 5-hydroxymethylfurfural (HMF) is an environmentally friendly and economical method to produce valuable 2,5-furandicarboxylic acid (FDCA). While great efforts have been devoted to developing non-noble-metal electrocatalysts for the HMF electrooxidation reaction (HMFOR), the activity still needs to be improved. Herein, taking Co3O4 as the model electrocatalyst, we demonstrate oxygen defect engineering as an effective method to enhance the HMFOR activity. Various concentrations of oxygen vacancies are introduced into Co3O4 by electrochemical reduction. The HMFOR performance exhibits a volcano dependence on the concentration of oxygen vacancies. Under the optimal reduction condition of -1.8 V (vs Hg/HgO) and 5 min, the HMF conversion rate and faradaic efficiency of FDCA are enhanced by 3.7- and 2-fold, respectively. Theoretical calculations further demonstrate that the presence of oxygen vacancies promotes the adsorption of HMF and decreases the reaction energy barriers during HMFOR. Our results provide critical insight into the role of oxygen defects in determining the HMFOR activity, and the method can be applied to the synthesis of highly active electrocatalysts for the electrochemical oxidation reactions of other biomasses.

The piezocatalytic characteristic of bismuth oxyhalides (BiOX, X = Cl, Br, and I) has been increasingly capturing interest for its potential in hydrogen evolution reaction (HER) through water splitting process. The performance regarding these piezocatalysts is closely related to the halogen element present in BiOX; yet, the specific influence mechanisms remain unclear. In this study, we prepared BiOX catalysts via a hydrothermal process and explored their piezocatalytic HER activities. Owing to the layered bismuth structure, the resulting sheet-like piezocatalysts can efficiently capture the mechanic stimulus and allow the robust piezoelectric field, contributing to the piezocatalytic operation. It demonstrates that the BiOBr achieves a remarkable piezocatalytic HER efficiency of 813 µmol g−1 h−1, outperforming BiOCl and BiOI. The density functional theory (DFT) calculation results reveal that the BiOBr with moderate halogen atom size and lattice layer spacing possesses the strongest piezoelectricity, which enhances the separation and transfer of electron–hole pairs. Meanwhile, the exposed Br atom layer facilitates a large Bader charge and a low surface Gibbs free energy (ΔGH), enhancing charge transfer for hydrogen reduction at the solid–liquid surface, thereby increasing the HER efficiency. This research sheds light on the halogen-dependent piezocatalytic activity of BiOX catalysts, offering valuable insights for the development of high-performance piezocatalysts.

Aqueous Zn-ion batteries have garnered considerable attention ascribed to the cost-effectiveness, high safety and environmental sustainability. However, the cycling life is severely restricted primarily due to H2O-induced side reactions. Herein, the interfacial side reactions are significantly restrained via fixing H2O molecules within a smartly designed hydrophilic separator. Consequently, the durable and fast Zn storage performance is not only remarkably achieved, but the effects of hydrophilic separator on inhibiting interfacial side reactions are also comprehensively revealed. First, the interfacial H2O molecules can be anchored in the designed hydrophilic separator through a hydrogen bonding between hydroxyl groups and H2O molecules, effectively decreasing the moisture content at the electrode-electrolyte interfaces, thereby significantly inhibiting interfacial side reactions. Second, desolvation process of hydrated Zn ions is prominently enhanced when passing through the hydrophilic separator, in favor of boosting kinetics performances. As a result, the as-designed hydrophilic separator enables symmetric cells with a long lifespan (2000 h at 10 mA cm- 2), as well as full cells with fast-charging (183.2 mAh g- 1 at 20 A g- 1) and stable-cycling capabilities (81.26 % retention after 5000 cycles). This study illustrates how hydroxyl groups inhibit interfacial side reactions and provides insights for developing other advanced separators in aqueous batteries.

Hydrogen (H-2) detection is essential for energy production, storage, and monitoring thermal runaway in lithium battery systems. Due to its small molecular size, high diffusivity, and highly flammable nature, hydrogen imposes stringent demands on sensing technologies for precise detection. Sensors must meet the challenges of low operating temperatures, long-term stability, high detection sensitivity, and low detection limits. To address these challenges, this study presents an innovative H-2 gas sensor. The optimized Pd2Au1-In2O3 sensor demonstrates a response value of 24.61 for 100 ppm H-2 at 130 degrees C, with a detection limit as low as 100 ppb, and shows excellent long-term stability. By optimizing the palladium-gold modification ratio and heating temperature, the material's selectivity is enhanced. Moreover, by integrating a differentiated array with feature recognition algorithms, the sensor achieves high-accuracy qualitative classification (97.62%) and concentration prediction (R-2 = 89.19%) for H-2, ethanol, and their mixed gases in different humidity environments. The sensing mechanism is also thoroughly investigated. This study not only contributes significantly to the design of hydrogen sensing materials but also advances the development of electronic nose systems, further expanding the application of artificial intelligence in gas detection, offering a promising solution for hydrogen safety monitoring and sustainable energy applications.

Despite the very high capacity of Si (4200mAh g-1), the widespread application of Si anodes has been hampered by drastic volume changes (up to 300 %) during cycling, leading to electrical contact losses and thus a sharp drop in capacity as the cycle life is shortened. Here we present a class of layered MXene/Si electrodes, which consist of nano-Si embedded in the interlayers of MXene to form a coupling effect, which can inhibit the huge volume change of Si during cycling. Therefore, layered MXene/Si has a highly reversible capacity, much improved cycling performance and excellent mechanical properties. First-principles calculations reveal the excellent electronic conductivity and good diffusion ability of layered MXene/Si, confirming the rapid storage of Li ions. This study provides useful information for the development and production of anode materials with high energy density and good mechanical properties.

Two-dimensional (2D) metal oxide α-MoO3 shows great potentials because of its very high dielectric constant, air stability and anisotropic phonon polaritons. However, a method to produce ultrathin single crystalline α-MoO3 with high transferability for functional device architecture is lacking. Herein, we report on the controllable synthesis of ultrathin α-MoO3 single crystals via chemical vapor deposition (CVD) assisted by plasma pretreatment. We also carried out systematic computational work to explicate the mechanism for the slantly-oriented growth of thin nanosheets on plasma-pretreated substrate. The method possesses certain universality to synthesize other ultrathin oxide materials, such as Bi2O3 and Sb2O3 nanosheets. As-grown α-MoO3 presents a high dielectric constant (≈40), ultrathin thickness (≈3 nm) and high transferability. Memristors with α-MoO3 as the functional layers show excellent performance featuring high on/off ratio of approximately 104, much lower set voltage around 0.5 V, and highly repetitive voltage sweep endurance. The power consumption of MoO3 memristors is significantly reduced, resulted from reduced thickness of the MoO3 nanosheets. Single crystal ultrathin α-MoO3 shows great potentials in post-Moore memristor and the synthesis of CVD assisted by plasma pretreatment approach points to a new route for materials growth.

The Ni-Co-Mn ternary cathode material LiNi0.8Co0.1Mn0.1O2 (NCM811) for lithium-ion batteries has garnered significant interest because of its outstanding comprehensive performance. The increase in Ni content in the material causes a considerable reduction in battery capacity and leads to cation disorder during charge/discharge. Herein, the models of NCM811 with concentration-gradient structures are constructed through the design of the concentration gradient and the adjustment of the arrangement of the cations in the transition-metal layer. Using density functional theory and first-principles calculations, the parameters of LiNiO2 and cation-ordered concentration-gradient NCM811 structures are discussed, and we have found the concentration-gradient design can effectively improve the electrochemical and mechanical properties of NCM811. In particular, NCM811 with randomly arranged Mn cations in the transition-metal layer exhibits good electric conductivity and ductility. The design of the concentration gradient is a promising approach for the development of high-performance layered cathode materials for lithium-ion batteries.

High density and safe storage of hydrogen are the preconditions for the large-scale application of hydrogen energy. Herein, the hydrogen storage properties of Ti 0.6 Zr 0.4 Cr 0.6 Mn 1.4 alloys are systematically studied by introducing Y element instead of Ti element through vacuum arc melting. After the partial substitution of Y, a second phase of rare earth oxide is added in addition to the main suction hydrogen phase, C14 Laves phase. Thanks to the unique properties of rare earth elements, the partial substitution of Y can not only improve the activation properties and plateau pressure of the alloys, but also increase the effective hydrogen storage capacity of the alloys. The comprehensive properties of hydrogen storage alloys are improved by multidimensional regulation of rare earth elements. Among them, Ti 0.552 Y 0.048 Zr 0.4 Cr 0.6 Mn 1.4 has the best comprehensive performance. The alloy can absorb hydrogen without activation at room temperature and 5 MPa, with a maximum hydrogen storage capacity of 1.98 wt.%. At the same time, it reduces the stability of the hydride and the enthalpy change value, making it easier to release hydrogen. Through theoretical analysis and first-principle simulation, the results show that the substitution of Y element reduces the migration energy barrier of hydrogen and the structural stability of the system, which is conducive to hydrogen evolution. The alloy has superior durability compared to the original alloy, and the capacity retention rate was 96.79% after 100 hydrogen absorption/desorption cycles.

Based on the high entropy theory, Fe, Mn, and Ni elements are doped into the transition metal Co sites in the LiCoO2 cathode structure. Two high entropy oxide cathode structures, namely the LiTM uniform O 2 model and the LiTM non-uniform O 2 model, are constructed based on whether the distribution of transition metal elements is uniform. The crystal structure parameters, mechanical performance parameters, anisotropy index, and stress- strain performance of two high entropy models are calculated using first principles calculation method, and the structural stability is analyzed from a mechanical perspective. The effects of lithium-ion deintercalation on the crystal structure, mechanical properties, and stress-strain properties of two structures during the charging and discharging processes are studied. The research results indicate that the synergistic effect of multiple transition metal atoms is beneficial for improving the stability and mechanical properties of the cathode structure. The study of mechanical properties during delithiation process shows that as the degree of lithium removal increases, the Young's modulus of the material continues to decrease, while plasticity and toughness first increase and then decrease. Compared with non-uniform model, uniform model has better mechanical properties and cycle stability. The stress-strain performance of the LiTM uniform O 2 model is superior to that of the LiTM nonuniform O 2 model, and it can resist the influence of internal stress during battery cycling. This work provides some theoretical guidance for studying cathode materials with excellent mechanical properties and high energy density.

NASICON-type cathode with remarkable ionic conductivity is perspective candidate for fast-charging sodium-ion battery. However, severely restricted by low electrical conductivity and poor interfacial kinetics, it usually delivers poor charge transfer kinetics. Different from traditional carbon compositing with high carbon contents, herein, a trace carbon incorporation tactic is proposed based on a typical NASICON-structured Na3V2(PO4)(3). First, particle-growth process of Na3V2(PO4)(3) is regulated via incorporating carbon dot, significantly reducing its particle size to shorten charge diffusion path. Second, electrical conductivity of Na3V2(PO4)(3) is improved without sacrificing its high electrochemical activity due to the incorporated trace carbon content (0.76 wt.%). Third, Na3V2(PO4)(3)-electrolyte interface structure is optimized by abundant functional groups from the incorporated carbon dot, enabling a thin and stable NaF-rich CEI layer to boost interface kinetics. As a result, carbon dot endows Na3V2(PO4)(3) with ultrastable cyclability up to 20 k cycles (capacity retention of 98.4%) and excellent rate capability (up to 200 C) in half cell, as well as high energy density (368.7 Wh kg(-1)) and fast charging property (approximate to 110.2 s per charging with 250.8 Wh kg(-1) input) in full cell. This study carves a new path for developing fast-charging cathode, as is increasingly desired for present energy storage applications.

First-principles calculations are employed to investigate the interfacial properties on the Zr-doped sulfide solid electrolytes. Theoretical calculation results show that the PS4 tetrahedral structure near the Li/Li3PS4 interface is severely damaged, whereas the Zr-doped sulfide solid electrolyte interface structure has a slight deformation. The Li ions migration energy barrier on the Zr-doped sulfide solid electrolyte interface is relatively lower than that on the Li/Li3PS4. Moreover, the stress-strain analysis indicates that the Li/Li3PS4 interface structure experiences a maximum strain of only 6%, while the Zr-doped sulfide solid electrolyte interface structure experiences a maximum strain of 10%. This may be attributed to the ability of Zr doping to prevent S2- diffusion into the lithium metal anode and stabilize the Li ion transport skeleton. Therefore, Zr doping can improve the interface structure stability. This study will provide a useful perspective for designing high performance of solid electrolytes for the application of all-solid-state batteries.