Energy Density Research Articles

Reinvented sodium anode by creating a metal-bulk storage matrix with an expanded 3D plating/stripping mechanism.

Direct metal anodes are plating/stripping processes without a supporting framework and bulk ion conductivity; they are the electrodes susceptible to collapse and limiting the electrochemical reaction to the two-dimensional surface. The focus of this era is mostly on building a solid electrolyte interface (SEI). However, simply building protective layers cannot address essential issues; a thorough transformation of the metal electrode bulk is critical. We propose a reconstructed sodium metal anode (RSMA) by implanting an activatable ion-conductive network to the bulk. NaPF6 will be activated with an electrolyte to conduct ions and form an anion-derived SEI. Conductive polymers become the supporting skeleton; thus, the RSMA has a metal-bulk storage matrix and an expanded three-dimensional plating/stripping mechanism and permits the homogeneous deposition/dissolution of Na+ in high dimensions. Last, RSMA symmetric cells were stably cycled for 2700 hours and achieved a 100% depth of discharge. RSMA||PB cells can achieve 10-coulomb cycling and a proof-of-concept pouch cell energy density of 367 watt-hours per kilogram.

Adaptive Stress Response in 2D Graphene@Se Composite toward Ultra-Stable All-Solid-State Lithium-Selenium Batteries.

All-solid-state lithium-selenium batteries (ASSLSeBs) offer high energy density and improved safety for next-generation energy storage. Still, selenium cathodes suffer from large volume changes during cycling, leading to mechanical stress and rapid capacity fade. To address this, a stress-adaptive 2D graphene@Se composite cathode is developed, where small Se nanoparticles are anchored onto acid-treated expanded graphite (AcEG) to enhance charge transport and alleviate stress. Mechanical characterization confirms that the composite effectively mitigates Li-ion-induced strain. As a result, ASSLSeBs with this cathode achieve exceptional cycling stability with ultrahigh capacity retention after 4000 cycles at 2C and stable performance for over 400 cycles even under high active-material loading. Furthermore, an all-solid-state Li-Se pouch cell with a record energy density of 376.8Whkg⁻¹ is demonstrated, the highest reported for ASSLSeBs. This work presents a strategy for designing stress-adaptive cathodes, enabling ultra-stable ASSLSeBs for practical applications.

Amorphous Protective Layers to Reshape Inorganic‐Rich Interphases for High‐Voltage Sodium‐Ion Batteries

ABSTRACTAlthough sodium‐ion batteries (SIBs) are competitive for large‐scale electrical energy storage, the high‐voltage instability of the cathode–electrolyte interphase (CEI) formed on the cathode surface results in the dissolution of the transition metal (TM) and the sluggish interfacial electrochemical reaction kinetics, which deteriorates both the energy density and the cycle life of the SIBs. Herein, we propose a surface modification strategy to reconstruct the interphase of P2‐type Na0.7Li0.03Mg0.03Ni0.27Mn0.6Ti0.07O2 (LM′NMT) cathode with amorphous SiO2 (denote as SiO2@LM′NMT) by a wet chemical method. This approach facilitates the reconfiguration of a more stable, inorganic‐rich CEI due to enhanced adsorption catalysis of an amorphous coating with ample defects, resulting in improved Na+ transport kinetics and inhibition of subsequent side reactions, TM dissolution, and structural degradation. As a result, the modified SiO2@LM′NMT‐5 cathode exhibits an impressive capacity of 131.6 mAh g−1 at 0.1 C and maintains exceptional cycling stability, with 91.7% capacity retention after 150 cycles at 1 C within the voltage window of 2.2 to 4.4 V. This study grasps insights into optimizing the CEI to push forward practical application of SIBs under high voltages.

3D Printing Integrated Lipophilic Additives Engineering to Enhance Wettability of Thick Electrodes Achieving High Rate and High Areal Capacity.

The poor diffusion and transfer kinetics of Li+ is the critical bottleneck for energy and power density in thick electrodes. Here, we develop a 3D-printed magnesium silicate for solid-state integrated lipophilic additive engineering technology to fabricate thick electrodes, effectively mitigating concentration polarization caused by the Li+ gradient distribution. By grafting cetyltrimethylammonium, a cationic surfactant-modified inorganic filler (LCN) is prepared, which is added into the LiFePO4 (LFP) slurry for 3D printing into a porous 810 μm thick LFP cathode. The introduced alkyl-lipophilic groups endow the cathode with higher adsorption energy, shortening the wetting time of the electrolyte by 75%. Moreover, the alkylammonium electron-donating groups not only increase the electron cloud density around O2- within the electrode but also decrease the crystallinity of the binder, enhancing the Li+ transfer and transport kinetics. Furthermore, the 3D network porous structure improves the ionic and electronic conductivity, resulting in a substantial enhancement in rate capability. Even at high current densities of 2 and 5 mA cm-2, the 3D-printed LFP cells with LCN deliver the areal capacities of 8.75 and 3.50 mAh cm-2, respectively. And after 100 cycles at 0.3 mA cm-2, it remains at a high capacity of 6.98 mAh cm-2, breaking the limitation of ion transport in thick electrodes. This work provides a strategy in addressing the wettability challenges of thick electrodes, opening another way for the development of high-energy/power-density energy storage systems.

LiF Pre-Nucleation Strategy for Mitigating Heat Generation at the Kinetic Bottleneck in Li/CFx Batteries.

Li/fluorinated carbon (Li/CFx) primary batteries offer ultrahigh energy density but are hindered by undesirable and often overlooked exothermic reactions, especially under high current densities. Herein, for the first time, the correlation between CFx structural evolution and heat generation is systematically investigated, identifying LiF nucleation as the kinetic bottleneck. At this stage, the temperature rise rate is 8.6 to 29.8 times higher than during the LiF growth stage in a 20 Ah pouch cell at 0.5 C. Based on these findings, it is proposed a LiF pre-nucleation strategy by chemically introducing LiF nuclei. LiF exhibits stronger adsorption energy on pre-existing LiF nuclei than on CFx substrate, thereby promoting selective LiF growth on these nuclei. As a result, the LiF nucleation overpotential is reduced by 0.32 V, and the temperature rise rate at the kinetic bottleneck step decreases from 0.149 to 0.097°C s-1, leading to a 13.5°C reduction at LiF nucleation stage. This study not only deepens the understanding of heat generation mechanisms in Li/CFx batteries but also provides a new strategy for enhancing Li/CFx battery safety.

Machine learning-guided construction of an analytic kinetic energy functional for orbital free density functional theory

Abstract Machine learning (ML) of kinetic energy functionals (KEF) for orbital-free density functional theory (OF-DFT) holds the promise of addressing an important bottleneck in large-scale ab initio materials modeling where sufficiently accurate analytic KEFs are lacking. However, ML models are not as easily handled as analytic expressions; they need to be provided in the form of algorithms and associated data. Here, we bridge the two approaches and construct an analytic expression for a KEF guided by interpretative machine learning of crystal cell-averaged kinetic energy densities (τ ̅) of several hundred materials. A previously published dataset including multiple phases of 433 unary, binary, and ternary compounds containing Li, Al, Mg, Si, As, Ga, Sb, Na, Sn, P, and In was used for training, including data at the equilibrium geometry as well as strained structures. A hybrid Gaussian process regression – neural network (GPR-NN) method was used to understand the type of functional dependence of τ ̅ on the features which contained cell-averaged terms of the 4th order gradient expansion and the product of the electron density and Kohn-Sham effective potential. Based on this analysis, an analytic model is constructed that can reproduce Kohn-Sham DFT energy-volume curves with sufficient accuracy (pronounced minima that are sufficiently close to the minima of the Kohn-Sham DFT-based curves and with sufficiently close curvatures) to enable structure optimizations and elastic response calculations.

Experimental Testing of New Concrete-Based, Medium-Temperature Thermal Energy Storage Charged by Both a Thermal and Electrical Power Source

This study aims to explore a new concept for a Power to Heat (P2H) device and demonstrate its effectiveness compared to a thermal heating method. The proposed concept is a medium-temperature system where electro-thermal conversion occurs via the Joule effect in a metallic tube (resistive element). This tube also serves as a heat exchange surface between the heat transfer fluid and the thermal storage medium. The heat storage material here proposed consists of base concrete formulated on purpose to ensure its operation at high temperatures, good performance and prolongated thermal stability. The addition of 10%wt phase change material (i.e., solar salts) stabilized in shape through a diatomite porous matrix allows the energy density stored in the medium itself to increase (hybrid sensible/latent system). Testing of the heat storage module has been conducted within a temperature range of 220–280 °C. An experimental comparison of charging times has demonstrated that electric heating exhibits faster dynamics compared to thermal heating. In both electrical and thermal heating methods, the concrete module has achieved 86% of its theoretical storage capacity, limited by thermal losses. In conclusion, this study successfully demonstrates the viability and efficiency of the proposed hybrid sensible/latent P2H system, highlighting the faster charging dynamics of direct electrical heating compared to conventional thermal methods, while achieving a comparable storage capacity despite thermal losses.

Multifunctional Interface Engineering of Li13Si4 Pre‐Lithiation Additives With Superior Environmental Stability for High‐Energy‐Density Lithium‐Ion Batteries

ABSTRACTConsidering the growing pre‐lithiation demand for high‐performance Si‐based anodes and consequent additional costs caused by the strict pre‐lithiation environment, developing effective and environmentally stable pre‐lithiation additives is a challenging research hotspot. Herein, interfacial engineered multifunctional Li13Si4@perfluoropolyether (PFPE)/LiF micro/nanoparticles are proposed as anode pre‐lithiation additives, successfully constructed with the hybrid interface on the surface of Li13Si4 through PFPE‐induced nucleophilic substitution. The synthesized multifunctional Li13Si4@PFPE/LiF realizes the integration of active Li compensation, long‐term chemical structural stability in air, and solid electrolyte interface (SEI) optimization. In particular, the Li13Si4@PFPE/LiF with a high pre‐lithiation capacity (1102.4 mAh g−1) is employed in the pre‐lithiation Si‐based anode, which exhibits a superior initial Coulombic efficiency of 102.6%. Additionally, in situ X‐ray diffraction/Raman, density functional theory calculation, and finite element analysis jointly illustrate that PFPE‐predominant hybrid interface with modulated abundant highly electronegative F atoms distribution reduces the water adsorption energy and oxidation kinetics of Li13Si4@PFPE/LiF, which delivers a high pre‐lithiation capacity retention of 84.39% after exposure to extremely moist air (60% relative humidity). Intriguingly, a LiF‐rich mechanically stable bilayer SEI is constructed on anodes through a pre‐lithiation‐driven regulation for the behavior of electrolyte decomposition. Benefitting from pre‐lithiation via multifunctional Li13Si4@PFPE/LiF, the full cell and pouch cell assembled with pre‐lithiated anodes operate with long‐time stability of 86.5% capacity retention over 200 cycles and superior energy density of 549.9 Wh kg–1, respectively. The universal multifunctional pre‐lithiation additives provide enlightenment on promoting large‐scale applications of pre‐lithiation on commercial high‐energy‐density and long‐cycle‐life lithium‐ion batteries.

Molecular Dynamics Study of Polyurethane and KH550/SiO2 in Enhancing Epoxy Resin (EP) Mechanical Properties.

To enhance the mechanical properties of epoxy resin (EP), this study utilizes polyurethane (PU) and KH550/SiO2 nanoparticles as synergistic modifiers to develop an epoxy resin composite model. In this paper, five models are established, namely: EP, PU-EP, SiO2-SR, KH550/SiO2-EP, and KH550/SiO2-PU-EP model. The mechanism of PU and KH550/SiO2 synergistic modification of EP mechanical properties is systematically studied through analyses of the cohesive energy density, free fraction volume, radius of gyration, radial distribution function, hydrogen bonding, and pull-out simulations. The results show that SiO2 nanoparticles modified with the KH550 coupling agent enhance the interaction energy between SiO2 and the EP matrix in the composite. At different temperatures (300-450 K), both fillers demonstrated the ability to lower the free fractional volume within EP composites. Additionally, they enhanced the quantity of hydrogen bonds, shortened the hydrogen bond distances within the system, and increased the proportion of hydrogen bonds exhibiting higher angles. Among them, KH550-SiO2/UP/EP has the most obvious improvement effect on the system, indicating that KH550/SiO2 and PU synergistically modified epoxy resin can improve the mechanical properties of the composites. At 300 K, the Young's modulus, shear modulus, bulk modulus, and bulk modulus/shear modulus of KH550-SiO2/UP/EP system are 8.12%, 7.03%, 16.05%, and 8.43% higher than those of EP system, respectively. At 450 K, it increased by 18.26%, 17.30%, 23.87%, and 27.57%, respectively. The findings of this study are anticipated to offer valuable insights for the design and performance enhancement of epoxy resin composites.

Size Effects on Process-Induced Porosity in Ti6Al4V Thin Struts Additively Manufactured by Laser Powder-Bed Fusion

Laser powder-bed fusion (L-PBF) additive manufacturing has been widely explored for fabricating intricate metallic parts such as lattice structures with thin struts. However, L-PBF-fabricated small parts (e.g., thin struts) exhibit different morphological and mechanical characteristics compared to bulk-sized parts due to distinct scan lengths, affecting the melt pool behavior between transient and quasi-steady states. This study investigates the keyhole porosity in Ti6Al4V thin struts fabricated by L-PBF, incorporating a range of strut sizes, along with various levels of linear energy densities. Micro-scaled computed tomography and image analysis were employed for porosity measurements and evaluations. Generally, keyhole porosity lessens with decreasing energy density, though with varying patterns across a higher energy density range. Keyhole porosity in struts predictably becomes severe at high laser powers and/or low scan speeds. However, a major finding reveals that the porosity is reduced with decreasing strut size (if less than 1.25 mm diameter), plausibly because the keyhole formed has not reached a stable state to produce pores in a permanent way. This implies that a higher linear energy density, greater than commonly formulated in making bulk components, could be utilized in making small-scale features to ensure not only full melting but also minimum keyhole porosity.

(Bi0.5Na0.5)TiO3-NaNbO3-Bi(Mg1/2Zr1/2)O3 Lead-Free Relaxor Antiferroelectric Ceramics Featuring Ultrahigh Temperature-Insensitive Energy-Storage Performance.

The development of lead-free dielectric ceramics with superior energy-storage performance is critical for next-generation pulsed-power capacitors. This work presents a breakthrough in lead-free (0.8-x)(Bi0.5Na0.5)TiO3-0.2NaNbO3-xBi(Mg1/2Zr1/2)O3 relaxor antiferroelectric ceramics featuring temperature-insensitive antipolar nanoregions with P4bm symmetry, as confirmed by ex- and in situ XRD, Raman spectroscopy, and TEM analysis. In-situ piezoresponse force microscopy demonstrates the electric-field-driven reversible transformation between the antipolar nanoregions and ferroelectric microdomains, accompanied by rapid recovery kinetics upon field removal. This behavior enables a linear-like polarization-field response with minimal hysteresis. Moreover, the synergistically improved grain morphology and band structure contribute to a significantly enhanced breakdown strength. As a result, a superb recoverable energy density Wrec ≈ 8.6 J/cm3 and a high energy efficiency η ≈ 85.5% are simultaneously achieved under 55 kV/mm in the x = 0.20 composition, which also exhibit a remarkable thermal stability (Wrec = 4.2 ± 1.7% J/cm3, η = 84.9 ± 4.0%, 20-260 °C) and ultrafast charge-discharge capabilities (Powder density PD = 264.7 MW/cm3, discharge energy density WD = 5.1 J/cm3, discharge time t0.9 < 30 ns). These findings demonstrate a promising strategy for exploiting lead-free dielectrics with desirable overall energy-storage features for capacitor applications.

Manipulating stable four-electron zinc-iodine batteries via the introduction of diamine ligand sites

Zinc-iodine batteries (ZIBs) are considered a promising energy storage system, but are still plagued by low energy density and rampant side reactions originating from active H2O molecules in the liquid electrolyte. Realizing the coupled redox reactions within I-/I0/I+ species, i.e., four-electron transfer reactions, is deemed an effective strategy for boosting the energy density of ZIBs, which is mainly blocked by the rapid hydrolysis of nucleophilic I+ ions. To address these issues, urea with diamine ligand sites (-NH2) was introduced into the liquid electrolyte [urea electrolyte (UE)] to achieve durable four-electron ZIBs. As demonstrated by the spectroscopic characterization results, -NH2 groups can bundle the active H2O molecules by reconfiguring the hydrogen bonds, and provide additional electrophilic ligand sites for I+ ions. Based on these advantages, both the side reactions on the Zn anode and the I+ hydrolysis reaction on the I2@AC cathode are remarkably mitigated, and four-electron transfer is realized at low zinc salt concentrations. As a result, the optimized UE electrolyte effectively stabilizes the zinc metal anode, and endows the I2@AC cathode with a high reversible capacity of 187.2 mAh g-1 after 250 cycles at 1 A g-1. The disclosed intermolecular force modulation strategy in this work will offer a comprehensive perspective for the future design of liquid electrolytes for high-energy-density ZIBs.

High energy density symmetric supercapacitors coupling redox-active gel polymer electrolytes with N-doped carbons

An adoption of a redox-active species can be instrumental in enhancing the specific capacitance of Electrical Double Layer Capacitors (EDLCs). Nitrogen-self-doped activated carbon (NDAC), derived from jack bean meal, exhibits a consistent distribution of nitrogen throughout a graphitized carbon framework, making it an ideal electrode for EDLCs. To enhance its capacitive properties, we integrated it with the redox additive para-phenylene diamine (PPD) and a gel polymer electrolyte made of poly (vinyl alcohol) and potassium hydroxide (PVA-KOH). Overlapping operative potential range of PPD with NDAC was the selection criterion. Further, the effects of concentration-dependent performance analysis interlinking PPD and PVA-KOH was evaluated via electrochemical studies. In a three-electrode setup, 25 mM PPD increased the specific capacitance six-fold to 835 F g⁻1 at 1 A g⁻1. Dunn's deconvolution analysis revealed a predominantly diffusive charge storage mechanism (75.8%), confirming the redox-active contributions. In a two-electrode symmetric supercapacitor (SSC), a blended gel polymer electrolyte of PVA-KOH and PPD delivered 179.94 F g⁻1 at a current density of 1 A g⁻1, demonstrating 77.5% capacitance retention and 99.4% coulombic efficiency after 10,000 cycles at 40 A g⁻1. Voltage-holding and self-discharge studies confirmed excellent stability, low leakage current, and minimal self-discharge. It was identified that 10 mg of PPD was an ideal concentration, enabling an energy density of 35.99 Wh kg⁻1 at a power density of 900 W kg⁻1. Thus, the results emphasized the synergy between PPD blended gel polymer electrolytes and NDAC as an ideal combination for high-performance supercapacitors.

Neutralization Process of High-Energy Negative Ion Beams in Plasma Targets: Insights from Particle-in-Cell Simulations

Abstract In fusion devices, optimizing Neutral Beam Injection (NBI) systems requires improving the neutralization efficiency of negative ion beams. However, the dynamic evolution of neutralization efficiency and its dependence on beam-plasma interaction mechanisms are not yet fully understood. To address this issue, this study aims to clarify the transient neutralization dynamics of high-energy negative ion beams in plasma targets and identify the key parameters that govern the efficiency, based on a self-developed 2D3V Particle-in-Cell/Monte Carlo collision (PIC/MCC) model. The neutralization process of the negative hydrogen ion beam was systematically simulated, encompassing various operating conditions of ion beam energy (10 keV–1 MeV) and background plasma density (1016–1019 m-3). The neutralization efficiency exhibits non-monotonic behavior, reaching a peak of 79.9% for 100 keV beams at a 30% ionization degree of the background plasma before declining due to cumulative collisional losses. The maximum neutralization efficiency decreases significantly with higher beam energy but increases at elevated background plasma densities. The key factors influencing neutralization efficiency have been comprehensively identified, and partial results show good agreement with published experimental data. These findings not only enhance the theoretical understanding of neutralization mechanisms for high-energy negative ion beams, but also provide an effective reference for improving neutralization efficiency in practical applications.&amp;#xD;

Introducing Nitramide Group into High Energy Density Material Molecule Leads to Enhanced Performance

Introducing Nitramide Group into High Energy Density Material Molecule Leads to Enhanced Performance

Elucidating Ligand Exchange Dynamics of Hexacyanochromate‐Based Redox Mediators in Aqueous Iron‐Chromium Redox Flow Batteries

Aqueous redox flow batteries (AQRFBs) are revolutionizing energy storage by integrating sustainability with cutting‐edge innovation. Among them, Iron‐Chromium RFBs (Fe‐Cr RFBs), which utilize aqueous‐based electrolytes, effectively address critical challenges in renewable energy integration while offering unparalleled safety, low‐cost scalability and environmental compatibility. Potassium hexacyanochromate (K3[Cr(CN)6]) has emerged as a promising negolyte material in Fe‐Cr RFBs due to its favorable electrochemical properties. However, enhancing its long‐term stability and elucidating its structural transformations remain crucial for optimized performance. Investigations into ligand exchange mechanism reveal connections to detrimental side reactions, notably hydrogen evolution reaction (HER) and hexacyanochromate instability, highlighting pathways for targeted improvement. Density Functional Theory (DFT) calculations illuminate the effects of ligand exchange dynamics and structural variations on redox stability, providing mechanistic insights into electrolyte behavior. By strategically incorporating sodium hydroxide with sodium cyanide as supporting electrolytes, our study demonstrates significantly improved stability of the redox couple, achieving a stable cycling performance over 250 cycles with an energy density of 13.91 Wh L‐1 and energy efficiencies exceeding 76‐77%. This research provides valuable insights into the degradation pathways of hexacyanochromate‐based negolytes and emphasizes the importance of optimized electrolyte design for advancing sustainable energy storage technologies.

Sustainable Sugarcane Bagasse-Derived Activated Carbon for High-Performance Symmetric Supercapacitor Devices Applications

In this study, sugarcane bagasse (SCB), an abundant agricultural byproduct, was transformed into activated carbon via a controlled thermochemical pyrolysis route for high-performance energy storage applications. Herein, we utilized the activated carbon derived from pure sugarcane bagasse (SCB-AC) and further activated using KOH (SCB-KOH-AC) as an electrode material in aqueous symmetric supercapacitor configurations. The synthesized activated carbon was subjected to analysis using a range of characteristics including FT-Raman spectroscopy, which was employed to confirm the functional groups present in the carbon materials. The XPS analysis provided insights into the elemental composition and ionic states. The SEM analysis revealed that both activated carbon and KOH/activated carbon materials exhibited a layered or stacked, albeit slightly random, orientation. Electrochemical studies demonstrated that the synthesized carbon electrodes exhibited impressive specific capacitance values of (SCB) activated carbon (132.20 F/g) and KOH-activated, pure SCB AC (SCB-A) 253.41 F/g at 0.5 A/g. Furthermore, the SCB KOH-activated carbon (AC) electrode revealed a higher specific capacitance value and A//SCB-A symmetric devices delivered energy density reaching 17.91 Wh/kg and power density up to 2990 W/kg. The KOH-activated carbon electrode demonstrated remarkable cycling stability retaining 93.89%, even after 10,000 cycles. These results suggest that the sugarcane bagasse-derived activated carbon is a sustainable and low-cost candidate for next-generation supercapacitor electrodes. The results demonstrate enhanced capacitance, stability, and pore structure tailored for energy storage applications. The KOH-activated carbon SCB carbon symmetric device with symmetric electrodes exhibited a suitable bio-mass carbon for future energy storage applications.

Regulating the Crystallinity of the Bimetallic Metal–Organic Frameworks for Supercapacitors with High Energy Density

Regulating the Crystallinity of the Bimetallic Metal–Organic Frameworks for Supercapacitors with High Energy Density

Upcycling PET waste into CoNi-MOF@MoSe2 hybrid nanostructures for high-performance aqueous supercapacitors.

This study presents a novel technique for sustainably upcycling polyethylene terephthalate (PET) plastic waste (PW) into functional metal-organic frameworks (MOFs) for enhanced energy storage applications. To synthesize CoNi-MOF nanocrystals, terephthalic acid (TPA), which is obtained by alkaline hydrolysis of PET, acts as an environmentally benign organic linker. Further integrating the MOFs with ultrathin MoSe2 nanosheets using a simple hydrothermal technique develops a hybrid CoNi-MOF@MoSe2 electrode material. The synthesized nanocomposite demonstrates excellent cycling durability, maintaining 98.46% of its capacitance after 15,000 GCD cycles, along with a high specific capacitance of 3,322 F/gat a low current of 0.5 A/g. Furthermore, an asymmetric supercapacitor (ASC) device was constructed with activated carbon (AC) as the anode and CoNi-MOF@MoSe2 as the cathode in an aqueous KOH electrolyte. This ASC has exceptional electrochemical performance, maintaining 95% of its original capacity after extended cycling and producing a high energy density of 59 Wh kg-1 at a power density of 450 W kg-1. This work highlights the possibility of PW-derived hybrid MOF materials with programmable nanostructures as viable choices for upcoming improved energy storage technologies.

Single‐Atom Chromium‐Embedded N‐Doped Graphene as a Multifunctional Separator Coating for Lithium–Sulfur Batteries

Lithium–sulfur (Li–S) batteries offer a promising alternative to traditional lithium‐ion batteries due to their high energy density, large capacity, cost advantages, and environmental benefits. However, their commercialization is impeded by challenges like the lithium polysulfide (LiPS) shuttle effect, necessitating advanced sulfur host materials and separator coatings for the effective trapping of LiPSs and enhancing the ion transfer. In this research, single‐atom chromium‐incorporated nitrogen‐doped graphene (Cr@NG) is introduced as a novel separator coating, synthesized by an NaCl soft‐template method. This material, as an efficient and economic alternative to other existing single‐atom catalysts‐based materials, combines high conductivity and catalytic activity, effectively suppressing the shuttle effect and enhancing sulfur conversion. First‐principles calculations and electrochemical studies further demonstrate that Cr@NG significantly improves adsorption capabilities, capacity retention, rate capability, and cycling stability. The incorporation of chromium offers substantial benefits in electron transport and catalytic efficiency, establishing Cr@NG as a promising multifunctional separator coating for high‐performance Li–S batteries.