Water electrolysis is pivotal for converting renewable energy into clean hydrogen fuel, addressing global energy demand sustainably. However, the development of highly efficient and cost-effective catalysts for the oxygen evolution reaction (OER) remains a significant challenge, particularly at the industrial scale. This report explores a newly discovered pathway, the oxide path mechanism (OPM) for OER—mechanism involving the oxide formation and evolution during the reaction, emphasizing its potential to overcome existing limitations. OPM enables direct O─O coupling without oxygen vacancies, offering superior stability. We detail both classical and innovative in-situ characterization techniques that are central to unraveling the OER mechanism. The advanced in-situ electrochemical techniques, such as inductively coupled plasma mass spectroscopy, X-ray photoelectron spectroscopy, and Mössbauer spectroscopy, coupled with in-situ structural analyses, provide crucial insights into the catalyst surface, the electrode-electrolyte interface and the kinetics of OER. This review provides a systematic analysis integrating classical electrochemical methods with advanced in-situ/operando techniques, specifically focusing on understanding OPM. While numerous studies have examined individual characterization methods, this study systematically integrates traditional electrochemical approaches with in-situ and operando techniques, offering critical insights into their complementary roles in elucidating reaction pathways. The integration of these methodologies provides unprecedented understanding of catalyst behavior under operational conditions, guiding the rational design of next-generation OER catalysts. Furthermore, we discuss essential standardized test toolkits and protocols, such as those for rotating disk electrode and membrane electrode assembly, which are vital for ensuring reproducibility and scalability in OER catalyst research.

Cesium lead iodide perovskites offer promising stability and a bandgap near 1.7 eV, making them suitable as the top cell in tandem solar cells. However, the inorganic perovskite films suffer from a high defect density and substantial recombination losses, undermining their optoelectronic performances. Here, by activating the aromatic system, we develop 4-methoxybenzoylhydrazine (MeOBH)-modified CsPbI₃ film with regulated crystallinity, suppressed non-radiative recombination, and improved interfacial energetic alignment. The resultant inorganic perovskite solar cells achieved a power conversion efficiency of 20.95%, along with enhanced phase stability owing to the strong coordination interaction between the lead cation and the hydrazide group. Encapsulated devices retain 90.4% of the initial performance after 624 h of maximum power point operation under the ISOS-L-1I protocol.

Exploring the influence of the coordination environment of single-atom catalysts (SACs) on the electrochemical CO₂ reduction reaction is vital for assessing the reaction mechanism and structure-performance relationship. However, it is challenging to engineer the coordination configuration of isolated active metal atoms precisely. Herein, we strategically manipulate the coordination number of the Co–N_x configuration by simply changing the order of adding the metal precursor toward improved CO₂ electrolysis performance. Compared with the symmetric Co–N₄ coordination, the asymmetric Co–N₃ coordination leads to reinforced Co–N interaction and downshifted 3d orbital energy toward the Fermi level of the active Co sites, promoting the activation of CO₂ molecules and the formation of critical intermediate *COOH. The as-designed Co–N₃ SAC displays excellent Faradaic efficiency (FE) of 98.4% for CO₂-to-CO conversion at a low potential of −0.80 V, together with decent FE over a wide potential range (−0.50 V to −1.10 V) and high durability. This study presents an ideal platform to manipulate the coordination number of atomically dispersed metal catalysts and provides a fundamental understanding of coordination configuration-performance correlation for CO₂ electroreduction.

Ferrite–carbon composites effectively absorb electromagnetic (EM) waves via coupled mechanisms. However, the dynamic evolution of intrinsic polarization and magnetic loss mechanisms following interfacial coupling has long been overlooked, impeding broadening of the ultra-broadband EM wave absorption performance in heterostructures. Herein, via surface ligand modulation, in situ growth of 0D Fe₃O₄ quantum dots (QDs) on the surface of 1D carbon nanotubes triggers grain boundary coupling. The energy rebalancing effect at the interface induces an extreme charge rearrangement within the Fe₃O₄ QDs. This rearrangement enhances dipole orientation hysteresis and charge accumulation, resulting in charge and interfacial polarization losses. Meanwhile, for subcritical Fe₃O₄ QDs, short-range magnetic resonance and magnetic exchange–triggered magnetic resonance transfer synergistically enhance the magnetic loss. Through charge rearrangement/magnetic resonance induced by 0D/1D grain boundary coupling, an effective bandwidth of nearly 10 GHz is achieved at a minimal thickness of 2 mm, covering the X and Ku bands. This strategy provides an effective paradigm and novel theoretical insights for ultra-broadband electromagnetic wave absorption applications.

The rate capability and cycling stability of sodium metal batteries taking FeS₂ or sulfur as cathode are limited due to their low reaction kinetics and severe shuttle effect. Herein, we rationally design a novel single-atom-dispersed S₂–FeNC/FeS₂ nanocluster heterojunction embedded in carbon spheres (SFNC/FeS₂) for the electrode material of sodium metal batteries. Interestingly, during the discharging process, the Na⁺ is inserted into FeS₂ to generate Na₂S, as well as the unique electrochemical reaction between S₂–FeNC and Na⁺ to form Na₂S. Meanwhile, the FeNC can adsorb Na₂S and catalyze the conversion from Na₂S and Fe to FeS₂ or from Na₂S and FeNC to S₂–FeNC for suppressing the shuttle effect and promoting the distinct hybrid reversible electrochemical behavior, which improves performance tremendously. Notably, the SFNC/FeS₂ electrode delivers a specific capacity of 338.7 mAh g^–1 after superlong 2000 cycles at a current density of 5.0 A g^–1 and achieves a high energy density of 430.1 Wh Kg^–1 at a current density of 0.05 A g^–1. This work presents a novel approach to studying sodium metal batteries with hybrid behavior for excellent high energy density and cycling stability.

Developing practical anion exchange membrane water electrolysis (AEMWE) technology encounters great challenges in not only cell efficiency but also long-term durability due to mechanical electrocatalyst detachment and electrochemical dissolution of active species, especially for the anodic oxygen evolution reaction (OER). Herein, a “two-pronged” approach is proposed to construct organophosphorus-protected NiFe layered double hydroxide catalysts on plasma-modified substrate, serving as an efficient and robust anode for practical AEMWE. Mechanical tests combined with operando spectroscopies and theoretical calculations demonstrate that the plasma modification strengthens the catalyst–substrate adhesion, while the organophosphorus protection prevents Fe leaching and promotes reaction kinetics during OER. The resultant electrode delivers an ultralow overpotential of 276 mV at 1 A cm⁻², together with a remarkable stability at 0.5 A cm⁻² over 500 h. Furthermore, assembling the optimized anode into an AEMWE device contributes to a minimized cell voltage of 1.70 V at 1 A cm⁻², which sustains durable green hydrogen production with an economical energy consumption of 4.16 kW h Nm⁻³ H₂.

High-capacity O3-type layered NiFeMn-based oxides are promising cathodes for sodium-ion batteries, though their practical deployment is constrained by the inherent limitations of Fe redox chemistry. Traditional designs generally enforcing stoichiometric symmetry (Ni ═ Mn) yield low Fe redox activity. Herein, we propose a valence engineering strategy that breaks conventional Ni/Mn stoichiometry to reconfigure Fe's local chemical environment and unlock unprecedented redox depth. Density functional theory (DFT) calculations reveal that the designed NaNi_0.35Fe_0.225Mn_0.425O₂ cathode exhibits a reduced Bader charge on Fe (1.598 vs. 1.638 in NaNi_1/3Fe_1/3Mn_1/3O₂) and elevated Fe 3d orbital energy, signifying enhanced Fe redox activity. This configuration enables an exceptional Fe^2.60+/Fe^3.88+ redox (1.28 e⁻ per Fe), delivering a reversible capacity of 184.3 mAh g⁻¹ within 2–4.2 V at 0.2 C, markedly exceeding the benchmark NaNi_1/3Fe_1/3Mn_1/3O₂ (161.3 mAh g⁻¹) with low reaction depth of Fe^3.01+/Fe^3.61+. The intensified cationic redox reaction enables an ultrahigh energy density of 596 Wh kg⁻¹. The NaNi_0.35Fe_0.225Mn_0.425O₂ cathode demonstrates robust performance over a broad temperature range from −15°C to 60°C. In situ and ex situ characterizations unveil a reversible O3 ↔ P3 ↔ OP2 phase transition with minimal volume change (1.88%) that circumvents detrimental deleterious O′3 intermediates and intragranular cracking. This work establishes valence engineering as a paradigm to consolidate cationic redox reaction in high-energy layered sodium oxide cathodes.

The advancement of hydrogen-based energy systems necessitates innovative solutions for safe, efficient hydrogen storage and transportation. Liquid organic hydrogen carriers (LOHCs) emerge as a transformative technology by combining high hydrogen capacity, excellent stability, and seamless integration with existing fuel infrastructure, enabling large-scale, long-distance hydrogen logistics. Despite these merits, challenges in dehydrogenation kinetics and catalyst instability impede practical deployment. Herein, we present a comprehensive mechanistic review of dehydrogenation pathways across diverse LOHC platforms, including cyclohexane, methylcyclohexane, decalin, dodecahydro-N-ethylcarbazole, perhydro-dibenzyltoluene/benzyltoluene, bicyclohexyl, and indole-based LOHCs. Compared with previous reviews, this study integrates geometric and electronic effects across multiple LOHC systems to identify cross-cutting structure–activity principles. Building on this framework, it further reveals reactant-dependent rules for active-site regulation, where the molecular architecture of hydrogen carriers critically determines the required catalyst characteristics. This perspective establishes a unified framework that links molecular descriptors to coordination-specific active sites, thereby advancing precision catalyst design for next-generation LOHC technologies.

Valence state engineering has emerged as a powerful strategy to optimize catalytic performance by modulating the electronic structure of metal active sites. However, the valence state regulation in high-entropy compounds (HECs) remains elusive due to their complex multi-element components and electronic interactions. Here, the valence states of different metals in two-dimensional (2D) high entropy oxide (HEO) (FeNiMoRuV)O_2−x are precisely modulated through controlled pyrolysis of corresponding 2D high entropy hydroxide (HEHO) (FeNiMoRuV)(OH)₂ under varying temperatures. Temperature-controlled pyrolysis selectively reduces the oxidation state of Ru, while simultaneously increasing the valence state of other constituent metals (Fe, Ni, Mo, and V), suggesting a competitive redox equilibrium. Notably, these low-valence Ru sites with oxygen vacancy in 2D HEO significantly reduce Ru–O bond energy and promote the generation of O–*O intermediates, thereby enabling oxygen evolution with a lattice oxygen mediated-oxygen vacancy site mechanism. 2D HEO with low-valence Ru exhibits superior electrolytic water performance (HER/OER) compared to HEHO and other HEO with high-valence Ru, achieving a current density of 1000 mA cm⁻² at 1.923 V, which exceeds the commercial Pt/C||RuO₂ system. Therefore, this study reveals the valence state regulatory mechanism of HECs and provides a solid hammer for the catalytic mechanism of valence state engineering.

The random distribution of one-dimensional nanofillers in composite polymer electrolytes (CPEs) typically results in tortuous ion transport pathways, severely limiting ionic conductivity and Li⁺ flux uniformity. Herein, an innovative electric field-assisted strategy is proposed to construct vertically aligned ion channels in CPEs using lithiated halloysite nanotubes (HNTs–SO₃Li) embedded within a polyurethane acrylate/polyethylene glycol diacrylate (PUA/PEGDA) matrix. Under an alternating electric field, the nanotubes orient perpendicularly, forming continuous, low-tortuosity pathways that significantly enhance room-temperature ionic conductivity. The aligned structure not only shortens Li⁺ transport distances but also homogenizes ion flux at the electrode interface, effectively suppressing lithium dendrite growth. Electrochemical characterization reveals exceptional stability. Three-dimensional structural reconstruction and ion transport simulations further demonstrate that the ordered channels promote uniform Li⁺ distribution and faster ion kinetics compared to disordered systems. This study provides a scalable and efficient approach to designing high-performance CPEs for next-generation solid-state batteries, addressing critical challenges in ionic conductivity, interfacial stability, and dendrite suppression.

Anion exchange membrane fuel cells (AEMFCs) offer a sustainable energy solution with non-precious metal catalysts, reduced degradation, and fuel flexibility. However, the sluggish oxygen reduction reaction (ORR) at the cathode and durability concerns impede commercialization. To address these challenges, this study presents a dual-atomic SiFe–N–C catalyst derived from pinecones, a naturally abundant biomass resource. The catalyst features a nitrogen-rich porous carbon matrix that stabilizes Si–Fe dual-atomic sites during pyrolysis. Advanced analyses confirm Fe–Si and Fe–N bonds, which synergistically enhance ORR activity by optimizing electronic structures and intermediate adsorption energies. The SiFe–N–C catalyst surpasses Pt/C and Fe–N–C single-atom benchmarks with superior ORR activity and excellent long-term durability supported by high resistance to CO poisoning as well as methanol crossover. It also demonstrates a promising electrochemical performance as a catalytic material for the separator of Li–S battery. Mechanistic studies reveal that the Si–Fe dual-atomic configuration promotes an efficient Fe–O–O–Si pathway, reducing energy barriers and offering a cost-effective, high-performance solution for electrochemical energy conversion and storage applications.

Solid-state sodium batteries (SSSBs) have been highly prized as a promising alternative to conventional battery systems using organic liquid electrolytes due to their improved safety, higher energy density, and substantial resources and low cost of sodium. Na₃Zr₂Si₂PO₁₂ (NZSP) solid electrolyte is attracting considerable interest owing to its excellent thermal and chemical stability and favorable compatibility with Na metal anode and high-voltage cathode. However, two main challenges of poor room-temperature ionic conductivity and high interfacial resistance limit the application of NZSP electrolyte in SSSBs. So far, intensive efforts have been devoted to developing modification strategies to improve the room-temperature ionic conductivity of NZSP. This review aims to provide a comprehensive summary and discussion of some optimization strategies for enhancing the room-temperature ionic conductivity of the NZSP solid electrolyte. These optimization strategies are categorized into foreign-ion doping or substitution, sintering behavior modulation, and regulation of chemical composition based on precursors, and their optimization mechanisms are also elaborated. Finally, the prospects of NZSP-based solid electrolytes are presented. This review is expected to offer better guidance for designing and developing high-performance NZSP-based solid electrolytes for accelerating the practical application of SSSBs.

The primary challenge in rechargeable Zn-air batteries lies in developing a catalyst capable of simultaneously improving performance for oxygen reduction reaction (ORR) during discharge and oxygen evolution reaction (OER) during charge. Engineering spin configuration is essential for enhancing the intrinsic bifunctional activity and stability of spinel Co₃O₄. Herein, Cr³⁺ is doped into Co₃O₄, inducing directional distortion of CoO₆ octahedron to modify crystal field splitting energy, pushing Co_Oh toward intermediate-spin (IS) configuration ({t_{2g}}^5{e_g}^1) with optimized e_g occupancy of 1.04. As a result, 9%Cr-Co₃O₄ demonstrates an excellent bifunctional activity and remarkable rechargeable Zn-air battery performance that even outperforms Pt/C + RuO₂. Density functional theory (DFT) studies reveal that IS Co_Oh not only regulates the adsorption energy of ORR/OER species but also transform the O₂ adsorption configuration from end-on to Griffith configuration, thus modifies the mechanisms of both ORR and OER process and optimize bifunctional activity and selectivity. This work provides mechanistic insight into the spin origin of ORR/OER catalysis and highlights a promising strategy for developing robust bifunctional electrocatalysts.

Sodium-ion batteries (SIBs) have exhibited significant commercial potential, benefiting from the abundance and global distribution of sodium resources. Among the diverse cathode materials under exploration for SIBs, Na₃MnTi(PO₄)₃ (NMTP) stands out as a highly promising candidate for practical applications, which combines the structural stability and high-voltage characteristics inherent to NASICON-type materials. In recent years, substantial advancements have been achieved in the research of NMTP. However, a comprehensive and up-to-date specialized review dedicated to its research progress and prospects remains lacking. This review, therefore, aims to systematically discuss the development and outlook of NMTP cathode material. Initially, the manuscript delves into the crystal structure and sodium-storage mechanism of NMTP. Subsequently, the synthesis methods, electrochemical properties, and optimization strategies are explored. Finally, the review outlines current challenges and suggests potential future research directions for NMTP.

The key challenge in the preparation of perovskite solar cells is to enhance the reproducibility of PSC manufacturing, particularly by better controlling multiple high-dimensional process parameters. This study proposes a machine learning (ML) approach to efficiently predict and analyze perovskite film fabrication processes. By evaluating five classic ML algorithms on 130 experimental data sets from blade-coating parameters, the Random Forest (RF) model was identified as the most effective, enabling rapid prediction of over 100,000 parameter sets in just 10 min-equivalent to 3 years of manual experimentation. The RF model demonstrated strong predictive accuracy, with an R² close to 0.8. This approach led to the identification of optimal process parameter combinations, significantly improving the reproducibility of PSCs and reducing performance variance by approximately threefold, thereby advancing the development of scalable manufacturing processes.

Reverse water-gas shift (RWGS) reaction-aided sustainable CO₂ conversion has emerged as one promising and effective approach for simultaneously mitigating climate change and solidifying energy security. Molybdenum carbide-based catalysts demonstrate excellent selectivity for sustainably transforming CO₂ into CO product, but harsh carburization syntheses and insufficient catalytic activity and stability significantly hinder their related commercial applications. Herein, a facile “inside-out” synthesis strategy was proposed to fabricate dispersed Cu clusters on sub-2 nm α-MoC nanoislands confined in pyridinic nitrogen-doped carbon (Cu-MoC/NC). This catalyst achieves the highest CO₂ conversion rate of 2583.4 mmol_CO2 g_cat⁻¹ h⁻¹ compared to those of all reported Mo-based catalysts, and maintains excellent catalytic stability for 500 h under a low H₂ partial pressure. Combined with X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations, the electronegativity of pyridinic nitrogen intensifies the electron deficiency of α-MoC and strengthens the chemisorption of Cu clusters on α-MoC nanoislands surface, facilitating the electronic interaction and stability of Cu–MoC interface. This pyridinic nitrogen-modified Cu–MoC interface promotes the CO₂ bridged adsorption at the interface and thus boosts C=O bond scissoring, inducing the transition of rate-limiting step and energy barrier reduction of the key intermediates. This interfacial engineering provides a sustainable and efficient strategy for improving both catalytic activity and stability of RWGS reaction to transform CO₂ into value-added fuels and chemicals.