Search Results (684)

Models of thermal runaway propagation in lithium-ion batteries are widely used for thermal safety analysis. Current methods, primarily lumped-parameter and 3D models, face challenges in balancing accuracy with computational efficiency. Three-dimensional models offer high accuracy at high computational cost, while lumped-parameter models are faster but less accurate. For instance, the battery shell is included in lumped-parameter models but often omitted in 3D models. This study focuses on a 37 Ah ternary lithium-ion battery, with Li(NiCoMn)_1/3O₂ as the cathode material and graphite as the anode material. The propagation of thermal runaway in the battery array is triggered by nail penetration. A lithium-ion battery thermal runaway propagation model is proposed, combining the lumped-parameter method with 3D modeling. The model primarily describes the heat transfer characteristics of the shell using a series connection of thermal capacitance and several thermal resistances. The shell temperature is then calculated by weighting the temperatures associated with the thermal capacitance and thermal resistances using specific weight coefficients. The joint model is detailed and applied to study thermal runaway propagation in one- and two-dimensional battery arrays. For the one-dimensional array, based on the three-dimensional simulation data and calculation time, the joint model shows only a 1.32% average deviation in propagation time compared to full 3D simulation, while maintaining good temperature agreement. It also reduces solution time by 70.22%. These findings confirm that the proposed model effectively enhances both the efficiency and accuracy of thermal runaway simulations, supporting improved safety analysis for lithium-ion battery systems. Full article

The sluggish kinetics of alkaline hydrogen oxidation reaction (HOR) and high cost of Pt–based catalysts have long hindered large–scale deployment of alkaline membrane fuel cells. Via first–principles calculations, we designed a series of 3d transition metal single atoms anchored on PdN₂ monolayer (TM–PdN₂, TM = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) and evaluated their alkaline HOR performance. Ti-, Cr-, Fe-, Co-, Ni-modified systems exhibit excellent thermodynamic and electrochemical stability under operating conditions. Single-atom doping tunes the p-band center of N and d-band center of metal sites, enabling precise modulation of H and OH adsorption strengths. Mechanistic analysis reveals HOR follows H₂ + 2OH* → H* + OH* + H₂O → 2H₂O, with the final step as rate-determining step. H adsorption contributes 3.45 times more to HOR activity than OH adsorption. Fe–PdN₂ delivers the best performance, with an ultra–low barrier of 0.11 eV and a rate constant of 2.82 × 10¹⁰ s^–1·site⁻¹, values that significantly outperform those of Pt(111) (0.22 eV, 4.5 × 10⁹ s⁻¹·site⁻¹). This work provides theoretical guidance for rational design of high–performance alkaline HOR electrocatalysts. Full article

Lithium-ion batteries used in electric vehicles (EVs) are highly sensitive to temperature variations, and excessive heat accumulation can adversely affect their performance, lifespan, and safety. Therefore, an effective battery thermal management system (BTMS) is essential for maintaining safe operating conditions. This study proposes a novel air-cooled BTMS incorporating circular vent holes in an acrylic enclosure to enhance airflow distribution and convective heat transfer around LiNiCoMnO₂ batteries. A computational fluid dynamics (CFD) model was developed to investigate the effects of discharge rate (1C–2C), inlet air velocity (1.0–3.0 m/s), and inlet air temperature (25–35 °C) on thermal behavior. The results indicate that the proposed BTMS effectively maintains battery temperatures below the critical limit of 40 °C. Optimal cooling performance was achieved at inlet air temperatures of 25–35 °C, 25–30 °C, and 25 °C for discharge rates of 1C, 1.5C, and 2C, respectively. The proposed design provides a simple, effective, and practical BTMS solution for EV applications. These findings confirm that the combination of forced air cooling and optimized vent design significantly improves thermal management performance. Full article

To date, lithium–ion batteries (LIBs) are considered one of the most promising and market-leading energy storage systems due to their high theoretical capacity and energy density. However, poor thermal and cyclic stability, low electrolyte uptake, and the possibility for frequent short circuits of typical separators and evolution of several gases during long cycle operation pose several problems for LIBs. Metal-organic frameworks (MOFs) have attracted widespread interest as a promising material for improving the cycle stability and safety of rechargeable batteries due to their inherent surface and structural properties such as high specific surface area, high porosity, and ionic conductivity. In this work, the aim is to provide detailed descriptions of the synthesis routes and parameters for obtaining various MOFs such as Zr-MOF-808 and Ni-MOF-74 nanoparticles and the fabrication of those MOF-integrated separators. To optimize the crystallinity, morphological and compositional characteristics, and several material characterizations such as XRD, SEM, and EDX have been applied. Afterwards, the synthesized MOF-integrated glass fiber (GF) separators have been developed for lithium–ion battery (LIB) applications. To investigate the electrochemical performance and the effect of MOF integration into the separators, electrochemical studies in the form of galvanostatic charge–discharge (GCD), electrochemical impedance spectroscopy (EIS) have been evaluated by preparing CR2032-type half-coin cells. This MOFs-integrated GF-separators and synthesized LiNi_0.6Mn_0.2Co_0.2O₂ (NMC622) cathode materials-based coin cell LIB exhibited higher cycle stability than bare GF-separator based LIB. This novel approach and extensive research suggest that development of MOF-integrated separators could significantly improve cycle stability by reducing the internal cell degradation for next generation energy storage devices. Full article

Binder-free NiMn₂O₄@NiCo₂O₄ nanocomposites with NiMn₂O₄ nanoparticle (NP) surface coverage on NiCo₂O₄ nanosheets (NSs) are fabricated on nickel foam (NF) via a two-step microwave-assisted hydrothermal (MAH) method combined with annealing treatment, which can be used as a high-performance electrode material for supercapacitors. Specifically, a tulle-like NiCo₂O₄ nanosheet framework is first in situ grown on NF, followed by the growth of NiMn₂O₄ NPs on the surface of NiCo₂O₄ NSs via a secondary MAH process. To investigate the effect of the second-step holding time (HT) of MAH on material performance, a series of experiments were carried out with an HT of 15, 30, 45, and 60 min, and the microstructures and electrochemical properties of the products were analyzed. Structural characterization results confirm the successful synthesis of well-defined NiMn₂O₄-NPs@NiCo₂O₄-NSs composites. Electrochemical tests demonstrate that the product at an HT of 30 min has the best electrochemical performance with a higher specific capacitance of 441.56 F·cm⁻² at 1 A·cm⁻² and cycling stability (75% capacitance retention after 5000 cycles at 15 A·cm⁻²). The superior electrochemical properties are mainly attributed to the unique porous tulle-like NS structure with the largest specific surface area of the 30 min product. This distinctive structure affords abundant electrochemical active sites, effectively prevents structural collapse during long-term cycling, and shortens the transmission and diffusion pathways of electrons and electrolyte ions. The optimized NiMn₂O₄@NiCo₂O₄ electrode material presents extensive application prospects for high-performance supercapacitors. Full article

The selective conversion of syngas (CO + H₂) to higher alcohols (C₂₊OH) via Fischer–Tropsch synthesis (FTS) is a strategically important but challenging process, requiring catalysts that can simultaneously sustain C–C chain growth and preserve C–O bonds in reactive intermediates. Over the past decade (2015–2025), perovskite-type complex oxides with the formula ABO₃ have emerged as powerful precatalysts for this application, with LaCoO₃ attracting particular attention due to its structural flexibility, controllable reducibility, and the unique catalytic role of the La₂O₃ phase formed upon reduction. This review systematically covers recent advances in synthesis strategies for LaCoO₃ and substituted perovskites, including sol–gel, co-precipitation, mechanochemical, and template-assisted (KIT-6, SBA-15) methods; effects of A-site (Sr) and B-site (Cu, Ga, Ni, Mn) substitution on reducibility, active phase dispersion, and product selectivity; alkali promotion and its interaction with the perovskite-derived active phase; mechanistic understanding of the alcohol-forming pathway, including the Co⁰/Co³⁺ bifunctional site concept, CO insertion mechanism, and the role of La₂O₃ in suppressing the Boudouard reaction; and catalyst stability and deactivation pathways under FTS conditions. Original data from LaCoO₃ catalysts prepared by co-precipitation with ethylene glycol (LCO-1: S_KOH = 90%, Y_KOH = 57 mg·g⁻¹·h⁻¹) and via citrate/KIT-6 template synthesis (LCO/KIT-6: Y_KOH = 80 mg·g⁻¹·h⁻¹, S_BET = 220 m²/g) at 240 °C and 2 MPa serve as the primary experimental reference throughout. Key challenges, including the surface area–selectivity trade-off, long-term stability under industrial conditions, and opportunities in CO₂ hydrogenation, are critically discussed. Full article

Layered Li-rich manganese-based Li_1.2Ni_0.13Co_0.13Mn_0.54O₂ (LNCMO) is regarded as a promising high-capacity cathode material. However, its commercial application is severely hindered by rapid capacity fading, serious voltage decay and poor cycling stability. Herein, a facile non-sintering electrostatic adsorption strategy employing PDDA is proposed to fabricate a uniform and dense graphene oxide (GO) coating on LNCMO particles. Structural and morphological characterizations confirm the successful decoration of GO on the surface of LNCMO. The optimized 0.5@LNCMO sample delivers a discharge capacity of 330 mAh g⁻¹ at 0.1C, and maintains a capacity retention of 86.5% after 200 cycles at 1C and 83.3% after 400 cycles at 5C, showing much better electrochemical performance than pristine LNCMO. This study proves that the proposed strategy is an effective modification method for constructing high-performance Li-rich cathode materials. Full article

Spent lithium-ion battery electrolytes contain fluorine-, sulfur-, and phosphorus-bearing toxins, necessitating deep detoxification and directional conversion into C₁–C₆ light hydrocarbons. To elucidate the specific catalytic roles and sequential activation of cathode metals (Li, Ni, Co, Mn), this work systematically deconvolutes their mono- and multi-metallic migration mechanisms over a CaO-ZSM-5* catalyst during vacuum catalytic pyrolysis (530 °C, 100 Pa). Results reveal that Li⁺ and Ni²⁺ dominate C–O bond cleavage in carbonates and CaO-ZSM-5*-assisted decarboxylation and oxygen fixation, significantly increasing the relative hydrocarbon content. Conversely, Co^2/3+ and Mn⁴⁺ release reactive oxygen species, causing deep oxidation of hydrocarbons into CO₂ and antagonizing the targeted conversion. In multi-metallic systems, forming composite metal oxides (M_xN_yO_z) increases the energy barrier for releasing active catalytic ions, hindering carbonate cleavage and leaving unreacted carbonate feedstocks. For detoxification, F and P are effectively immobilized as CaF₂ and Ca₂P₂O₇. The relative content of detected gas-phase nitriles is minimized to <2% due to the strong antagonistic effect of Ni²⁺ on Li⁺-promoted hexanedinitrile cleavage, while sulfur species derived from 1,3-propane sultone are converted to SO₂ and ultimately mineralized as calcium and metal-sulfur salts. Mechanistically, product distributions and crystallographic properties suggest a hypothesized sequential activation model—Li⁺ → Ni²⁺ → Mn⁴⁺—governing reactivity, whereas Co^2/3+ does not participate in the synergistic detoxification and selective upgrading process. This migration–reaction coupling framework provides critical insights for cathode-assisted in situ catalytic pyrolysis and closed-loop electrolyte recycling. Full article

In this study, zinc-modified biochar (ZBC) was prepared from rose willow, and NiCoMn-LDHs@ZBC composites were synthesized using a hydrothermal method. The composites were characterized by X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) surface area analysis, scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). The adsorption mechanism of As(V) from aqueous solution onto NiCoMn-LDHs@ZBC was investigated through a series of arsenic adsorption experiments. The effects of various experimental parameters (including adsorbent composition and ratio, adsorbent dosage, solution pH, contact time, temperature, and coexisting ions) on the adsorption capacity were evaluated. Additionally, adsorption model fitting and kinetic analysis were conducted. The results indicate that the adsorption process follows the pseudo-second-order kinetic model (linear correlation coefficient R² = 0.99), while the isothermal adsorption process adheres to the Langmuir model, with a maximum adsorption capacity of 159.780 mg/g. The adsorption process is primarily dominated by chemisorption and involves three pathways: first, electrostatic attraction between the material surface and arsenic-containing ions; second, ion exchange between arsenic-containing ions and interlayer carbonate ions; and third, coordination reactions between the surface hydroxyl groups (-OH) of NiCoMn-LDHs@ZBC and As, forming As-O-M inner-sphere complexes as adsorption proceeds. Furthermore, the NiCoMn-LDHs@ZBC composite exhibits relatively stable reusability, demonstrating significant potential for the treatment of arsenic pollution in water bodies. Full article

This study proposes a novel synergistic design strategy to enhance the oxidation resistance of FeNiCuAl-based high-entropy alloys by integrating multi-element alloying (Cr-Co-Mn), trace Y modification, and laser-cladding-induced nanocrystallization. While the Base Alloy exhibited a mass gain of approximately 15 mg/cm² after oxidation at 900 °C for 120 h, the addition of Cr_2.5Co_2.5Mn_2.5 promoted the formation of a multilayered oxide scale (outer MnCr₂O₄/inner Al₂O₃), reducing the parabolic oxidation rate constant to 1.7 × 10⁻⁵ mg²·cm⁻⁴·s⁻¹. The originality of this work lies in the coupling of compositional and microstructural engineering; further addition of 0.5 at.% Y decreased this constant to 1.7 × 10⁻⁶ mg²·cm⁻⁴·s⁻¹—a three-order-of-magnitude reduction relative to the Base Alloy, while increasing the apparent oxidation activation energy to ~350 kJ/mol. After 100 thermal cycles at 1000 °C, the designed alloy showed a mass change of only 0.05 ± 0.02 mg/cm², with its critical load and interfacial fracture energy reaching 78 N and 14.8 J/m², respectively. Furthermore, the alloy retained a hardness of 310 HV, an elastic modulus of 135 GPa, and a tensile strength of 240 MPa at elevated temperature. These results demonstrate that the synergistic integration of chemical and structural optimization provides a new paradigm for designing low-cost, high-performance FeNiCuAl-based protective coatings. Full article

Temperature affects the battery voltage response, and it is essential to take this influence into consideration for diagnosis purposes, as it could be misinterpreted for degradation. Temperature affects cell kinetics, and a good proxy to emulate this impact is to use electrode data at different C rates. This work further validates this concept by analyzing the relationship between temperature and rate at the electrode level for commercial graphite//LiFePO₄ and (silicon, graphite)//LiNi_0.8Mn_0.1Co_0.1O₂ cells. It will be shown that excellent emulation accuracy for both the voltage response and the capacity retention can be obtained for temperatures varying between −14 °C and 55 °C. Full article

High-nickel layered oxide cathodes, exemplified by LiNi_0.9Co_0.05Mn_0.05O₂ (NCM90), exhibit high specific capacity but suffer from severe interfacial degradation and structural instability during electrochemical cycling. Herein, we present a phosphate-based in situ modification approach that forms a durable, self-established cathode–electrolyte interphase (CEI), thereby resolving these key challenges from the root. We employ a controlled (NH₄)₂HPO₄ coating and optimized thermal treatment to fabricate a thin, dense layer of crystalline lithium phosphate on the NCM90 surface. This coherent layer serves as an artificial CEI precursor, which electrochemically evolves into a highly stable and ionically conductive interfacial shield during operation. It effectively suppresses parasitic reactions, mitigates transition metal dissolution, and alleviates mechanical strain induced by phase transitions. Comprehensive optimization of calcination temperature and coating content identifies 760 °C and 1 wt% as the optimal conditions, yielding a well-preserved layered structure and effectively suppressed Li⁺/Ni²⁺ mixing compared with the pristine NCM90. When tested at 0.1 C in the potential range of 2.75–4.3 V, the coated electrode delivers a high initial discharge specific capacity of 204.08 mAh g⁻¹. After 100 charge–discharge cycles at 1 C, it retains 89.24% of its capacity, and its rate capability is also significantly improved. Collectively, these findings verify that forming a customized CEI via precursor coating successfully suppresses interfacial degradation and improves structural integrity, thus representing a viable, scalable pathway toward advanced lithium-ion batteries with exceptionally stable cathodes. Full article

This study investigates the leaching behavior of the LiNi_0.65Co_0.25Mn_0.10O₂ cathode material in a phosphoric acid medium, with metallic copper recycled from spent battery components serving as a reducing agent. The aim was to develop an efficient approach for the recovery of Li, Ni, Co, and Mn while providing a mechanistic understanding. Leaching experiments were performed by varying key parameters, including copper addition, acid concentration (0.2–0.8 mol·L⁻¹), cathode mass (0.2–1.0 g), stirring rate (0–600 rpm), and temperature (35–80 °C). Thermodynamic analysis, supported by Pourbaix and species distribution diagrams, was used to interpret metal behavior. The results show that lithium is readily dissolved, whereas the extraction of Ni, Co, and Mn depends on the presence of copper, which enables their reduction and dissolution. Optimal conditions (0.4 mol·L⁻¹ H₃PO₄, 0.2 g Cu, 600 rpm, 80 °C) enabled rapid extraction, exceeding 90% within 30 min, while near-complete extraction (~100%, 99%, 99%, and 97% for Li, Ni, Co, and Mn) was achieved after 60 min. Structural analysis revealed a transformation from the layered structure to spinel-like intermediates, followed by their dissolution and formation of copper phosphate phases. The proposed system represents an efficient approach for the sustainable recycling of NMC cathodes. Full article

A sustainable strategy was developed to valorize rabbit manure waste by synthesizing a porous quaternary Ni-Co-Zn-Fe layered double hydroxide/biochar nanocomposite (QL-RMB) for the efficient removal of Mn(VII) in the form of permanganate (MnO₄⁻) from aqueous solutions. The QL-RMB adsorbent exhibited a well-developed mesoporous structure with uniformly dispersed nanoparticles, achieving 73% MnO₄⁻ removal within 60 min under optimized conditions (pH 3.0; dosage 0.5 g L⁻¹). Adsorption followed pseudo-second-order kinetics and was best described by the Freundlich isotherm model (R² > 0.98), yielding a maximum Langmuir adsorption capacity (q_max) of 45.13 mg g⁻¹. Statistical physics modeling confirmed a multi-ionic, vertically oriented adsorption configuration, while thermodynamic analysis demonstrated that the process was spontaneous and exothermic, governed by electrostatic attraction, anion exchange, and surface complexation. The QL-RMB composite exhibited excellent MnO₄⁻ selectivity in the presence of competing ions (selectivity coefficients: 24.96 for Fe³⁺, 31.59 for Ni²⁺, 23.56 for Zn²⁺) and retained significant removal efficiency (73.96%) after five regeneration cycles. In a circular economy approach, the Mn (VII)-spent adsorbent (QL-RMB/Mn) was valorized as an electrocatalyst for urea electro-oxidation, achieving a current density of ~127.19 mA cm⁻² for pristine QL-RMB, which increased to ~217.07 mA cm⁻² after Mn(VII) adsorption (QL-RMB/Mn) in 1 M KOH/1 M urea. Batch scale-up studies revealed an efficiency of 42.55 g or 95% MnO₄⁻ removal from 50 L water, with a low estimated production cost of 0.0602 USD g⁻¹. Environmental sustainability was confirmed by the National Environmental Methods Index (NEMI), modified Green Analytical Procedure Index (Mo-GAPI), Eco-scale (score: 77), and Analytical GREEness (AGREE) assessment frameworks. Full article

Recycling spent lithium-ion batteries (LIBs) is critical for resource sustainability and carbon neutrality. This work presents a green strategy in which NaA zeolite is used to preferentially recover lithium from leachate of spent NCM111 batteries, combined with temperature-regulated stepwise separation of transition metals. Benefiting from the distinct hydrated ionic radii and charge density between Li⁺ and divalent metal ions, NaA zeolite selectively adsorbs Ni²⁺, Co²⁺ and Mn²⁺, leaving Li⁺ in the raffinate. Under optimized conditions, two-stage adsorption achieves 95.6%, 96.7% and 99.7% removal of Ni²⁺, Co²⁺ and Mn²⁺, respectively, with 11% Li⁺ co-adsorption. Thermodynamic analysis reveals that the adsorption process is endothermic and thermodynamically spontaneous. The interaction strength between metal ions and NaA zeolite follows the order Ni²⁺ > Co²⁺ > Mn²⁺, and ion exchange is identified as the dominant mechanism. It is determined that 96.8% of Mn²⁺ can be recovered at 0 °C, followed by the desorption of 93.5% of Co²⁺ at 90 °C, and the sequential separation of Mn, Co and Ni is realized. Three consecutive adsorption–desorption cycles demonstrate the acceptable reusability of the Ni-loaded NaA adsorbent. High-purity Li₂CO₃ (purity 96.7%, yield 93.5%), MnO₂ (purity 99.3%, yield 98.4%) and Co₃O₄ (purity 98.8%, yield 97.6%) are obtained from the corresponding solutions. This approach provides a scalable closed-loop pathway for full-component recovery of valuable metals from spent LIBs. Full article