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2026 Volume 42 Issue 5
2026, 42(5): 100183
doi: 10.1016/j.actphy.2025.100183
Abstract:
Molten salt polarization, leveraging ionic interactions in high-temperature molten salts, emerges as a powerful yet underexplored strategy for structural engineering. It enables precise structural engineering of polymeric carbon nitride (PCN), offering a promising strategy to boost photocatalytic H2O2 synthesis. Herein, we report a controlled modulation strategy by varying LiCl/KCl ratios in molten salts to tailor the framework structures of PCN, achieving two distinct crystalline phases: heptazine-dominated (LKCN-0.95) and heptazine-triazine donor-acceptor (D-A) junction (LKCN-0.2). By integrating experimental and theoretical analyses, we revealed that Li+-rich molten salts promote highly ordered heptazine frameworks, while K+-dominated systems enable triazine incorporation. The optimized heptazine-dominated and heptazine-triazine junction exhibited 27-fold and 42-fold enhancements in H2O2 photosynthesis (3.3 and 5.2 mmol L−1 h−1) compared to pristine PCN (0.12 mmol L−1 h−1), alongside exceptional stability over five cycles. Mechanistic studies demonstrated that structural modulation enhances charge separation and optimizes oxygen adsorption/activation for selective 2e− oxygen reduction. This work not only advances the understanding of molten salt-driven structural evolution but also provides a scalable approach for designing efficient photocatalysts toward solar-driven H2O2 photosynthesis.
Molten salt polarization, leveraging ionic interactions in high-temperature molten salts, emerges as a powerful yet underexplored strategy for structural engineering. It enables precise structural engineering of polymeric carbon nitride (PCN), offering a promising strategy to boost photocatalytic H2O2 synthesis. Herein, we report a controlled modulation strategy by varying LiCl/KCl ratios in molten salts to tailor the framework structures of PCN, achieving two distinct crystalline phases: heptazine-dominated (LKCN-0.95) and heptazine-triazine donor-acceptor (D-A) junction (LKCN-0.2). By integrating experimental and theoretical analyses, we revealed that Li+-rich molten salts promote highly ordered heptazine frameworks, while K+-dominated systems enable triazine incorporation. The optimized heptazine-dominated and heptazine-triazine junction exhibited 27-fold and 42-fold enhancements in H2O2 photosynthesis (3.3 and 5.2 mmol L−1 h−1) compared to pristine PCN (0.12 mmol L−1 h−1), alongside exceptional stability over five cycles. Mechanistic studies demonstrated that structural modulation enhances charge separation and optimizes oxygen adsorption/activation for selective 2e− oxygen reduction. This work not only advances the understanding of molten salt-driven structural evolution but also provides a scalable approach for designing efficient photocatalysts toward solar-driven H2O2 photosynthesis.
2026, 42(5): 100186
doi: 10.1016/j.actphy.2025.100186
Abstract:
Amidst growing concerns regarding pesticide contamination, particularly within the realms of food, grains, and meat products, the quest for highly efficient and stable photocatalysts for pollutant degradation has become an imperative area of research. In this study, a novel S-scheme heterojunction photocatalyst, Al6Si2O13/BiOBr (ASO/BO) nanocomposites, was successfully synthesized to enhance charge transfer and improve the photocatalytic degradation of Triazophos (TAP) and Dichlorvos (DDVP), prevalent agricultural pollutants. Performance evaluation revealed that the 60-ASO/BO nanocomposite (with 60% ASO loading ratio) achieved a remarkable degradation efficiency, reducing pesticide (TAP) concentration from 100% to 28.0% within 100 min, while retaining 94.7% of its initial activity after four cycles (400 min). In stark contrast, the degradation efficiencies of the individual ASO and BO were substantially lower, with ASO achieving 56.6% and BO merely 58.8%. For DDVP, the composite also exhibited excellent photocatalytic degradation activity, reducing its concentration from 100% to 32.3% within 100 min, far outperforming ASO (100% to 67.8%) and BO (100% to 47.9%). Enhanced charge migration within the S-scheme heterojunction accounts for the remarkable catalytic efficiency. The charge transfer pathway and mechanism were further validated using femtosecond transient absorption spectroscopy (fs-TAS), adsorption energy calculations, differential charge density analysis, Kelvin probe force microscopy (KPFM), and in situ X-ray photoelectron spectroscopy (XPS). The results emphasize that S-scheme charge migration is vital for enhancing photocatalytic performance. Consequently, the ASO/BO heterojunction based on the S-scheme provides a robust and reliable route for achieving durable and efficient photocatalytic removal of environmental contaminants, with broad application prospects in agriculture, food safety, and the preservation of grain and meat products.
Amidst growing concerns regarding pesticide contamination, particularly within the realms of food, grains, and meat products, the quest for highly efficient and stable photocatalysts for pollutant degradation has become an imperative area of research. In this study, a novel S-scheme heterojunction photocatalyst, Al6Si2O13/BiOBr (ASO/BO) nanocomposites, was successfully synthesized to enhance charge transfer and improve the photocatalytic degradation of Triazophos (TAP) and Dichlorvos (DDVP), prevalent agricultural pollutants. Performance evaluation revealed that the 60-ASO/BO nanocomposite (with 60% ASO loading ratio) achieved a remarkable degradation efficiency, reducing pesticide (TAP) concentration from 100% to 28.0% within 100 min, while retaining 94.7% of its initial activity after four cycles (400 min). In stark contrast, the degradation efficiencies of the individual ASO and BO were substantially lower, with ASO achieving 56.6% and BO merely 58.8%. For DDVP, the composite also exhibited excellent photocatalytic degradation activity, reducing its concentration from 100% to 32.3% within 100 min, far outperforming ASO (100% to 67.8%) and BO (100% to 47.9%). Enhanced charge migration within the S-scheme heterojunction accounts for the remarkable catalytic efficiency. The charge transfer pathway and mechanism were further validated using femtosecond transient absorption spectroscopy (fs-TAS), adsorption energy calculations, differential charge density analysis, Kelvin probe force microscopy (KPFM), and in situ X-ray photoelectron spectroscopy (XPS). The results emphasize that S-scheme charge migration is vital for enhancing photocatalytic performance. Consequently, the ASO/BO heterojunction based on the S-scheme provides a robust and reliable route for achieving durable and efficient photocatalytic removal of environmental contaminants, with broad application prospects in agriculture, food safety, and the preservation of grain and meat products.
2026, 42(5): 100187
doi: 10.1016/j.actphy.2025.100187
Abstract:
The rational engineering of inorganic/organic catalysts capable of concomitant utilization of solar energy and advanced oxidation processes (AOPs) holds significant promise for the degradation of antibiotic contaminants. The study developed MoO2-x/g-C3N4 (MOCN) S-scheme heterojunctions with oxygen vacancies using an ultrasonic-assisted integration technique, employing them as solar-driven peroxymonosulfate (PMS) catalysts for the degradation of antibiotics. The formation of an internal electric field between MoO2-x and g-C3N4, along with the charge transfer pathway in the S-scheme heterojunction, was confirmed using density functional theory, femtosecond transient absorption spectroscopy, and in-situ XPS analysis. Meanwhile, the oxygen vacancy and photothermal effect of the MOCN heterojunction further accelerate the electron migration rate. The optimized MOCN-2 catalyst achieved 90.9 % tetracycline (TC) removal within 20 min compared to pristine MoO2-x and g-C3N4. Continuous flow experiments and bactericidal activity experiments together validated the practical feasibility of this catalyst for water treatment applications. The analysis above led to the proposal of a possible mechanism for TC degradation. This research brings forward new strategies for the synthesis of S-scheme heterojunctions to improve wastewater treatment.
The rational engineering of inorganic/organic catalysts capable of concomitant utilization of solar energy and advanced oxidation processes (AOPs) holds significant promise for the degradation of antibiotic contaminants. The study developed MoO2-x/g-C3N4 (MOCN) S-scheme heterojunctions with oxygen vacancies using an ultrasonic-assisted integration technique, employing them as solar-driven peroxymonosulfate (PMS) catalysts for the degradation of antibiotics. The formation of an internal electric field between MoO2-x and g-C3N4, along with the charge transfer pathway in the S-scheme heterojunction, was confirmed using density functional theory, femtosecond transient absorption spectroscopy, and in-situ XPS analysis. Meanwhile, the oxygen vacancy and photothermal effect of the MOCN heterojunction further accelerate the electron migration rate. The optimized MOCN-2 catalyst achieved 90.9 % tetracycline (TC) removal within 20 min compared to pristine MoO2-x and g-C3N4. Continuous flow experiments and bactericidal activity experiments together validated the practical feasibility of this catalyst for water treatment applications. The analysis above led to the proposal of a possible mechanism for TC degradation. This research brings forward new strategies for the synthesis of S-scheme heterojunctions to improve wastewater treatment.
2026, 42(5): 100199
doi: 10.1016/j.actphy.2025.100199
Abstract:
Hard carbon (HC) derived from corn-distillers is a sustainable, affordable anode candidate for sodium-ion batteries (SIBs), yet its practical deployment has been limited by insufficient reversible capacity. Here we report a temperature-gradient treatment that precisely tailors interlayer spacing, porosity, and graphitization in corn-distillers-derived hard carbon, unlocking exceptional electrochemical performance. The optimized material exhibits an interlayer spacing of 0.378 nm and a dominant pore size of 1.68 nm. It demonstrates outstanding high-rate behavior, achieving 289 and 198 mAh g-1 at 1.0 and 2.0 A g-1, respectively. Additionally, it retains 83% of its capacity after 700 cycles at 2.0 A g-1. Integrating in situ X-ray diffraction with ex situ Raman spectroscopy demonstrates a unique sodium-storage mechanism characterized by both "adsorption–intercalation and pore-filling". This approach helps elucidate the rapid kinetics and long-lasting performance. These results demonstrate that controlled structural tactics of biomass-derived HC can achieve the desired capacity, rate capability, and longevity required for practical SIB anodes—bringing an abundant, waste-derived feedstock dramatically closer to commercialization.
Hard carbon (HC) derived from corn-distillers is a sustainable, affordable anode candidate for sodium-ion batteries (SIBs), yet its practical deployment has been limited by insufficient reversible capacity. Here we report a temperature-gradient treatment that precisely tailors interlayer spacing, porosity, and graphitization in corn-distillers-derived hard carbon, unlocking exceptional electrochemical performance. The optimized material exhibits an interlayer spacing of 0.378 nm and a dominant pore size of 1.68 nm. It demonstrates outstanding high-rate behavior, achieving 289 and 198 mAh g-1 at 1.0 and 2.0 A g-1, respectively. Additionally, it retains 83% of its capacity after 700 cycles at 2.0 A g-1. Integrating in situ X-ray diffraction with ex situ Raman spectroscopy demonstrates a unique sodium-storage mechanism characterized by both "adsorption–intercalation and pore-filling". This approach helps elucidate the rapid kinetics and long-lasting performance. These results demonstrate that controlled structural tactics of biomass-derived HC can achieve the desired capacity, rate capability, and longevity required for practical SIB anodes—bringing an abundant, waste-derived feedstock dramatically closer to commercialization.
2026, 42(5): 100202
doi: 10.1016/j.actphy.2025.100202
Abstract:
The carbon-doped BiOCl was prepared using glucose as a carbon source. The carbon dopants are mainly concentrated in the surface or shallow lattice of the crystals with partial bonded to oxygen atoms. The conversion of benzylamine for its self-coupling (> 99%) is boosted by 12 times over carbon-doped BiOCl that of bare BiOCl under visible light at room temperature using molecular oxygen as a green oxidant. The doped catalyst shows good functional groups toleration of amines and facet-dependent photocatalytic activity. Comprehensive characterizations verify that doping of carbon causes the formation of doping energy level in the original band gap of crystal, which widens the absorption range of BiOCl to visible light and decreases its work function. Meanwhile, the doping of carbon also enhances the electric field in the BiOCl and the most efficient dopant is the single and bilayer graphene which can capture the conduction band electrons that are excited to higher energy levels following the electron-hole separation. This retards the electrons recombination with holes and improves the separation efficiency of photo-generated carriers. Moreover, the O2 activation is enhanced. This work provides a reference for the rational design of photocatalysts and the realization of high-efficiency and directional organic conversion.
The carbon-doped BiOCl was prepared using glucose as a carbon source. The carbon dopants are mainly concentrated in the surface or shallow lattice of the crystals with partial bonded to oxygen atoms. The conversion of benzylamine for its self-coupling (> 99%) is boosted by 12 times over carbon-doped BiOCl that of bare BiOCl under visible light at room temperature using molecular oxygen as a green oxidant. The doped catalyst shows good functional groups toleration of amines and facet-dependent photocatalytic activity. Comprehensive characterizations verify that doping of carbon causes the formation of doping energy level in the original band gap of crystal, which widens the absorption range of BiOCl to visible light and decreases its work function. Meanwhile, the doping of carbon also enhances the electric field in the BiOCl and the most efficient dopant is the single and bilayer graphene which can capture the conduction band electrons that are excited to higher energy levels following the electron-hole separation. This retards the electrons recombination with holes and improves the separation efficiency of photo-generated carriers. Moreover, the O2 activation is enhanced. This work provides a reference for the rational design of photocatalysts and the realization of high-efficiency and directional organic conversion.
2026, 42(5): 100209
doi: 10.1016/j.actphy.2025.100209
Abstract:
Molecular representation learning is a critical task in AI-driven drug development. While graph neural networks (GNNs) have demonstrated strong performance and gained widespread adoption in this field, efficiently extracting and explicitly analyzing functional groups remains a challenge. To address this issue, we propose MolUNet++, a novel model that employs Molecular Edge Shrinkage Pooling (MESPool) for hierarchical substructure extraction, utilizes a Nested UNet framework for multi-granularity feature integration, and incorporates a substructure masking explainer for quantitative fragment analysis. We evaluated MolUNet++ on tasks including molecular property prediction, drug-drug interaction (DDI) prediction, and drug-target interaction (DTI) prediction. Experimental results demonstrate that MolUNet++ not only outperforms traditional GNN models in predictive performance but also exhibits explicit, intuitive, and chemically logical interpretability. This capability provides valuable insights and tools for researchers in drug design and optimization.
Molecular representation learning is a critical task in AI-driven drug development. While graph neural networks (GNNs) have demonstrated strong performance and gained widespread adoption in this field, efficiently extracting and explicitly analyzing functional groups remains a challenge. To address this issue, we propose MolUNet++, a novel model that employs Molecular Edge Shrinkage Pooling (MESPool) for hierarchical substructure extraction, utilizes a Nested UNet framework for multi-granularity feature integration, and incorporates a substructure masking explainer for quantitative fragment analysis. We evaluated MolUNet++ on tasks including molecular property prediction, drug-drug interaction (DDI) prediction, and drug-target interaction (DTI) prediction. Experimental results demonstrate that MolUNet++ not only outperforms traditional GNN models in predictive performance but also exhibits explicit, intuitive, and chemically logical interpretability. This capability provides valuable insights and tools for researchers in drug design and optimization.
2026, 42(5): 100213
doi: 10.1016/j.actphy.2025.100213
Abstract:
Artificial Intelligence-Generated Content (AIGC)—content autonomously produced by AI systems without human intervention—has significantly boosted efficiency across various fields. However, AIGC in material science faces challenges in efficiently discovering novel materials that surpass existing databases, while ensuring the invariance and stability of crystal structures. To address these challenges, we develop T2MAT (text-to-material), an end-to-end agent that transforms user-input text into the inverse design of novel material structures with target properties beyond existing database, enabled by comprehensive exploration of chemical space and fully automated first-principles validation. Furthermore, we propose CGTNet (Crystal Graph Transformer NETwork), a graph neural network specifically designed to capture long-range interactions, which dramatically improves the accuracy and data efficiency of property predictions and thereby strengthens the reliability of inverse design. Through these contributions, T2MAT reduces the reliance on human expertise and accelerates the discovery of high-performance functional materials, paving the way for truly autonomous material design.
Artificial Intelligence-Generated Content (AIGC)—content autonomously produced by AI systems without human intervention—has significantly boosted efficiency across various fields. However, AIGC in material science faces challenges in efficiently discovering novel materials that surpass existing databases, while ensuring the invariance and stability of crystal structures. To address these challenges, we develop T2MAT (text-to-material), an end-to-end agent that transforms user-input text into the inverse design of novel material structures with target properties beyond existing database, enabled by comprehensive exploration of chemical space and fully automated first-principles validation. Furthermore, we propose CGTNet (Crystal Graph Transformer NETwork), a graph neural network specifically designed to capture long-range interactions, which dramatically improves the accuracy and data efficiency of property predictions and thereby strengthens the reliability of inverse design. Through these contributions, T2MAT reduces the reliance on human expertise and accelerates the discovery of high-performance functional materials, paving the way for truly autonomous material design.
2026, 42(5): 100214
doi: 10.1016/j.actphy.2025.100214
Abstract:
Cathode materials play a critical role in determining the energy density, cycle life, and cost-effectiveness of sodium-ion batteries (SIBs). Among various candidates, P2-type layered oxide cathodes exhibit superior high-rate charge/discharge performance due to their open Na+ diffusion channels, making them particularly suitable for applications requiring rapid power delivery, such as starter batteries and grid frequency regulation. However, while the conventional P2-type Na0.67Ni0.33Mn0.67O2 (P2-NNMO) cathode demonstrates high energy density, the strong O2−–O2− electrostatic repulsion within the transition metal layer during high-voltage charging induces an irreversible P2 → O2 phase transition accompanied by approximately 20% volume strain. This results in severe lattice distortion and structural collapse. Additionally, oxygen oxidation at high voltages contributes to charge compensation, reducing electrochemical reaction reversibility and accelerating structural degradation. Consequently, the P2-NNMO cathode suffers from rapid capacity decay and poor cycling stability, hindering its practical application. To overcome these challenges, we developed a multi-element doping strategy to design a P2-Na0.67Zn0.05Ni0.23Fe0.1Mn0.57Ti0.05O2 (P2-NZNFMTO) layered oxide cathode. The synergistic doping of Zn2+, Ti4+, and Fe3+ enables concurrent optimization of structural and electrochemical properties. Specifically, Zn2+ doping enhances the O2−–Na+–O2− electrostatic interaction, promoting the formation of local "Na+ pillars" within the Na layer to mitigate volume variation and phase transitions during cycling. Ti4+ doping disrupts Na+/vacancy ordering, significantly improving Na+ diffusion kinetics. The incorporation of Zn2+, Ti4+, and Fe3+ also alleviates the Jahn-Teller distortion associated with Ni2+/Ni3+, enhancing cycling performance while reducing material costs. The P2-NZNFMTO cathode exhibits exceptional electrochemical performance, demonstrating 96.7% capacity retention after 100 cycles at 1C rate with a high cut-off voltage of 4.3 V. Even at a high rate of 3C, it maintains over 85% capacity retention after 300 cycles. In-situ X-ray diffraction (XRD) and galvanostatic intermittent titration technique (GITT) analyses confirm its excellent structural stability and rapid Na+ transport capability at high voltages. This multi-element synergistic doping strategy establishes a novel design principle and theoretical foundation for developing high-voltage, long-cycle-life, and high-power SIB cathodes.
Cathode materials play a critical role in determining the energy density, cycle life, and cost-effectiveness of sodium-ion batteries (SIBs). Among various candidates, P2-type layered oxide cathodes exhibit superior high-rate charge/discharge performance due to their open Na+ diffusion channels, making them particularly suitable for applications requiring rapid power delivery, such as starter batteries and grid frequency regulation. However, while the conventional P2-type Na0.67Ni0.33Mn0.67O2 (P2-NNMO) cathode demonstrates high energy density, the strong O2−–O2− electrostatic repulsion within the transition metal layer during high-voltage charging induces an irreversible P2 → O2 phase transition accompanied by approximately 20% volume strain. This results in severe lattice distortion and structural collapse. Additionally, oxygen oxidation at high voltages contributes to charge compensation, reducing electrochemical reaction reversibility and accelerating structural degradation. Consequently, the P2-NNMO cathode suffers from rapid capacity decay and poor cycling stability, hindering its practical application. To overcome these challenges, we developed a multi-element doping strategy to design a P2-Na0.67Zn0.05Ni0.23Fe0.1Mn0.57Ti0.05O2 (P2-NZNFMTO) layered oxide cathode. The synergistic doping of Zn2+, Ti4+, and Fe3+ enables concurrent optimization of structural and electrochemical properties. Specifically, Zn2+ doping enhances the O2−–Na+–O2− electrostatic interaction, promoting the formation of local "Na+ pillars" within the Na layer to mitigate volume variation and phase transitions during cycling. Ti4+ doping disrupts Na+/vacancy ordering, significantly improving Na+ diffusion kinetics. The incorporation of Zn2+, Ti4+, and Fe3+ also alleviates the Jahn-Teller distortion associated with Ni2+/Ni3+, enhancing cycling performance while reducing material costs. The P2-NZNFMTO cathode exhibits exceptional electrochemical performance, demonstrating 96.7% capacity retention after 100 cycles at 1C rate with a high cut-off voltage of 4.3 V. Even at a high rate of 3C, it maintains over 85% capacity retention after 300 cycles. In-situ X-ray diffraction (XRD) and galvanostatic intermittent titration technique (GITT) analyses confirm its excellent structural stability and rapid Na+ transport capability at high voltages. This multi-element synergistic doping strategy establishes a novel design principle and theoretical foundation for developing high-voltage, long-cycle-life, and high-power SIB cathodes.
2026, 42(5): 100234
doi: 10.1016/j.actphy.2025.100234
Abstract:
Efficient capture of low-concentration carbon dioxide (CO2) requires chemisorbents that couple strong reactivity with long-term structural stability. Alkali metal oxides are promising candidates but suffer from rapid sintering that severely reduces accessible active sites. Here we develop a universal interfacial strategy that immobilizes Li2O, Na2O, and K2O as highly dispersed amorphous domains on hollow carbon spheres (named Li-HCS, Na-HCS, and K-HCS) forming robust M–O–C anchor sites. These interfacial structures prevent oxide migration, enhance surface basicity, and significantly strengthen CO2 binding. Among the alkali metal-loaded hollow carbon spheres, K-HCS exhibits the highest CO2 uptake (4.9 mmol g−1 at 273 K and 1bar), fastest adsorption kinetics (13.56 mol kg−1 h−1 at 313 K and 1bar), and optimal low-pressure removal efficiency (44% at 273 K and 0.15 bar). Density functional theory calculations further reveal a monotonic increase in adsorption strength and molecular activation from Li to Na to K, driven by enhanced electron donation and polarizability. This work establishes a broadly applicable route for stabilizing alkali metal oxides and provides mechanistic insights for advancing low-pressure CO2 capture materials.
Efficient capture of low-concentration carbon dioxide (CO2) requires chemisorbents that couple strong reactivity with long-term structural stability. Alkali metal oxides are promising candidates but suffer from rapid sintering that severely reduces accessible active sites. Here we develop a universal interfacial strategy that immobilizes Li2O, Na2O, and K2O as highly dispersed amorphous domains on hollow carbon spheres (named Li-HCS, Na-HCS, and K-HCS) forming robust M–O–C anchor sites. These interfacial structures prevent oxide migration, enhance surface basicity, and significantly strengthen CO2 binding. Among the alkali metal-loaded hollow carbon spheres, K-HCS exhibits the highest CO2 uptake (4.9 mmol g−1 at 273 K and 1bar), fastest adsorption kinetics (13.56 mol kg−1 h−1 at 313 K and 1bar), and optimal low-pressure removal efficiency (44% at 273 K and 0.15 bar). Density functional theory calculations further reveal a monotonic increase in adsorption strength and molecular activation from Li to Na to K, driven by enhanced electron donation and polarizability. This work establishes a broadly applicable route for stabilizing alkali metal oxides and provides mechanistic insights for advancing low-pressure CO2 capture materials.
2026, 42(5): 100206
doi: 10.1016/j.actphy.2025.100206
Abstract:
Sodium-ion batteries (SIBs) have demonstrated enormous application potential in large-scale energy storage systems due to their abundant sodium resources, low cost, and environmental friendliness. The ion migration rate and electron transfer efficiency of cathode materials are key factors determining the rate performance, cycle life, and capacity retention rate of batteries, and synergistic improvement of both is essential to overcoming performance bottlenecks. This paper takes the three mainstream cathode materials of sodium-ion batteries as its research objects, including layered transition metal oxides (LTMOs), polyanionic compounds (PACs), and Prussian blue analogues (PBAs). It systematically reviews the structural basis of ion migration channels and electron transfer pathways in different material systems and thoroughly analyzes their synergistic regulatory mechanisms. Combining the latest research findings, this paper explains, from three dimensions of elemental optimization, structural design, and composite modification, the specific pathways and mechanisms for synergistically enhancing the efficiency of ion channels and the continuity of electronic pathways. It distills universal strategies for designing high-performance SIBs cathode materials, providing a valuable reference for further developing SIBs cathode materials that combine high capacity, exceptional rate performance, and robust stability.
Sodium-ion batteries (SIBs) have demonstrated enormous application potential in large-scale energy storage systems due to their abundant sodium resources, low cost, and environmental friendliness. The ion migration rate and electron transfer efficiency of cathode materials are key factors determining the rate performance, cycle life, and capacity retention rate of batteries, and synergistic improvement of both is essential to overcoming performance bottlenecks. This paper takes the three mainstream cathode materials of sodium-ion batteries as its research objects, including layered transition metal oxides (LTMOs), polyanionic compounds (PACs), and Prussian blue analogues (PBAs). It systematically reviews the structural basis of ion migration channels and electron transfer pathways in different material systems and thoroughly analyzes their synergistic regulatory mechanisms. Combining the latest research findings, this paper explains, from three dimensions of elemental optimization, structural design, and composite modification, the specific pathways and mechanisms for synergistically enhancing the efficiency of ion channels and the continuity of electronic pathways. It distills universal strategies for designing high-performance SIBs cathode materials, providing a valuable reference for further developing SIBs cathode materials that combine high capacity, exceptional rate performance, and robust stability.
