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2026 Volume 42 Issue 7
2026, 42(7):
Abstract:
2026, 42(7): 100201
doi: 10.1016/j.actphy.2025.100201
Abstract:
Safety concerns arising from the flammability of alkyl carbonate-based electrolytes in lithium-ion batteries highlight the urgent need for advanced flame-retardant systems. Herein, we propose a novel electrolyte additive strategy by encapsulating phosphorus/nitrogen-containing ionic liquids (P/N-ILs) within a metal-organic framework (MOF). The resulting P/N-ILs@MOF composite exhibits high porosity and structural stability, effectively preventing P/N-ILs aggregation while maintaining synergistic flame-retardant functions of phosphorus for radical scavenging and nitrogen for gas dilution. Electrolytes containing 5 wt% P/N-ILs@MOF (MIE-5) achieve a 90% reduction in self-extinguishing time and an increased limiting oxygen index of 32%. Electrochemical testing demonstrates that MIE-5 delivers excellent cycling stability, retaining 84.5% capacity after 300 cycles in Li|MIE-5|LiFePPO4 cells. Moreover, a 10 Ah graphite|MIE-5|LiFePPO4 pouch cell with MIE-5 maintains 97.7% capacity after 280 cycles at 1C and retains 94.9% of its 0.2C capacity at 2C. This study introduces a new paradigm for integrating flame retardancy with electrochemical performance via MOF-encapsulation, offering significant potential for next-generation safe and durable lithium-ion batteries.
Safety concerns arising from the flammability of alkyl carbonate-based electrolytes in lithium-ion batteries highlight the urgent need for advanced flame-retardant systems. Herein, we propose a novel electrolyte additive strategy by encapsulating phosphorus/nitrogen-containing ionic liquids (P/N-ILs) within a metal-organic framework (MOF). The resulting P/N-ILs@MOF composite exhibits high porosity and structural stability, effectively preventing P/N-ILs aggregation while maintaining synergistic flame-retardant functions of phosphorus for radical scavenging and nitrogen for gas dilution. Electrolytes containing 5 wt% P/N-ILs@MOF (MIE-5) achieve a 90% reduction in self-extinguishing time and an increased limiting oxygen index of 32%. Electrochemical testing demonstrates that MIE-5 delivers excellent cycling stability, retaining 84.5% capacity after 300 cycles in Li|MIE-5|LiFePPO4 cells. Moreover, a 10 Ah graphite|MIE-5|LiFePPO4 pouch cell with MIE-5 maintains 97.7% capacity after 280 cycles at 1C and retains 94.9% of its 0.2C capacity at 2C. This study introduces a new paradigm for integrating flame retardancy with electrochemical performance via MOF-encapsulation, offering significant potential for next-generation safe and durable lithium-ion batteries.
2026, 42(7): 100211
doi: 10.1016/j.actphy.2025.100211
Abstract:
The rational design of efficient step-scheme (S-scheme) heterojunctions is a significant breakthrough in photocatalysis, holding great potential to enhance eco-friendly environmental restoration and energy conversion technologies. However, conventional S-scheme heterojunctions frequently suffer from lattice mismatch issues, which severely compromise the efficacy of built-in electric fields in charge separation. To address this limitation, we developed an innovative in situ deposition strategy to construct van der Waals S-scheme heterojunctions within Bi2O2S-BiOBr composites. This approach effectively mitigates lattice mismatch and ensures intimate interfacial contact, enabling the formation of a strong internal electric field that facilitates efficient carrier migration. The Bi2O2S-BiOBr composites exhibit an extended light absorption range exceeding 700 nm, allowing for broad-spectrum photocatalytic activity. Under Xenon lamp irradiation, the Bi2O2S-BiOBr composites demonstrated outstanding photocatalytic efficiency in the degradation of ciprofloxacin (CIP). Notably, the 20%Bi2O2S-BiOBr composite achieved 93% CIP removal within 15 min, outperforming all other tested composites. The notable enhancement in performance stems from the van der Waals S-scheme heterojunction, which facilitates highly efficient separation of photogenerated carriers. This work provides valuable insights for the strategic design of advanced van der Waals heterostructures with S-scheme charge transfer mechanisms.
The rational design of efficient step-scheme (S-scheme) heterojunctions is a significant breakthrough in photocatalysis, holding great potential to enhance eco-friendly environmental restoration and energy conversion technologies. However, conventional S-scheme heterojunctions frequently suffer from lattice mismatch issues, which severely compromise the efficacy of built-in electric fields in charge separation. To address this limitation, we developed an innovative in situ deposition strategy to construct van der Waals S-scheme heterojunctions within Bi2O2S-BiOBr composites. This approach effectively mitigates lattice mismatch and ensures intimate interfacial contact, enabling the formation of a strong internal electric field that facilitates efficient carrier migration. The Bi2O2S-BiOBr composites exhibit an extended light absorption range exceeding 700 nm, allowing for broad-spectrum photocatalytic activity. Under Xenon lamp irradiation, the Bi2O2S-BiOBr composites demonstrated outstanding photocatalytic efficiency in the degradation of ciprofloxacin (CIP). Notably, the 20%Bi2O2S-BiOBr composite achieved 93% CIP removal within 15 min, outperforming all other tested composites. The notable enhancement in performance stems from the van der Waals S-scheme heterojunction, which facilitates highly efficient separation of photogenerated carriers. This work provides valuable insights for the strategic design of advanced van der Waals heterostructures with S-scheme charge transfer mechanisms.
2026, 42(7): 100212
doi: 10.1016/j.actphy.2025.100212
Abstract:
Defect and interface engineering of polymeric carbon nitride photocatalysts remains an under-explored yet powerful strategy for challenging organic transformations. Here we report a crystalline, alkaline-treated poly(heptazine imide) (PHI-K-alk) that enables transition-metal-free activation of Katritzky pyridinium salts for visible-light-driven C-X (C(sp2/sp)-C, C(sp2)-S, etc.) bond construction. A molten-salt/alkalization protocol simultaneously enhances long-range order and installs abundant N-K surface sites, generating a negatively charged, π-extended scaffold that overcomes the intrinsically high reduction potential and poor adsorption of Katritzky salts. PHI-K-alk delivers up to 90% conversion and 94% selectivity in deaminative Heck-type coupling, comparable to state-of-the-art homogeneous photocatalysts. Comprehensive spectroscopic, electrochemical, and DFT investigations elucidate that strategic incorporation of N-defects leads to electron cloud polarization, while N-K bonds facilitate ion exchange with pyridinium counter-anions, lower the substrate LUMO by 0.33 eV, and reduce the C(sp2)-N bond cleavage barrier to 0.7 eV. Additionally, the high crystallinity of the platform suppresses charge recombination, thereby promoting rapid interfacial electron transfer. This photocatalytic system demonstrates broad substrate tolerance, including primary, secondary, amino-acid-derived, and drug-like compounds, and is effective in mediating Minisci reactions, C(sp3)-C(sp) and C(sp3)-H alkylations. Our results offer a blueprint for integrating crystallinity and defects in transition metal-free semiconductors, paving the way toward more sustainable photocatalytic synthesis.
Defect and interface engineering of polymeric carbon nitride photocatalysts remains an under-explored yet powerful strategy for challenging organic transformations. Here we report a crystalline, alkaline-treated poly(heptazine imide) (PHI-K-alk) that enables transition-metal-free activation of Katritzky pyridinium salts for visible-light-driven C-X (C(sp2/sp)-C, C(sp2)-S, etc.) bond construction. A molten-salt/alkalization protocol simultaneously enhances long-range order and installs abundant N-K surface sites, generating a negatively charged, π-extended scaffold that overcomes the intrinsically high reduction potential and poor adsorption of Katritzky salts. PHI-K-alk delivers up to 90% conversion and 94% selectivity in deaminative Heck-type coupling, comparable to state-of-the-art homogeneous photocatalysts. Comprehensive spectroscopic, electrochemical, and DFT investigations elucidate that strategic incorporation of N-defects leads to electron cloud polarization, while N-K bonds facilitate ion exchange with pyridinium counter-anions, lower the substrate LUMO by 0.33 eV, and reduce the C(sp2)-N bond cleavage barrier to 0.7 eV. Additionally, the high crystallinity of the platform suppresses charge recombination, thereby promoting rapid interfacial electron transfer. This photocatalytic system demonstrates broad substrate tolerance, including primary, secondary, amino-acid-derived, and drug-like compounds, and is effective in mediating Minisci reactions, C(sp3)-C(sp) and C(sp3)-H alkylations. Our results offer a blueprint for integrating crystallinity and defects in transition metal-free semiconductors, paving the way toward more sustainable photocatalytic synthesis.
2026, 42(7): 100223
doi: 10.1016/j.actphy.2025.100223
Abstract:
The growing threat of antibiotic-resistant infections calls for advanced non-invasive therapeutic strategies. Herein, we construct a Schottky junction-based nanocomposite composed of gold nanoparticles (AuNPs) and graphene oxide quantum dots (GOQDs), where GOQDs serve as multifunctional building blocks to synergistically enhance both photodynamic therapy (PDT) and photothermal therapy (PTT) under 460 nm LED irradiation. GOQDs not only facilitate charge separation and transfer for reactive oxygen species (ROS) generation, but also improve photothermal conversion due to their broad optical absorption and high electron mobility. Moreover, their abundant surface functional groups enhance dispersion, biocompatibility, and tissue affinity. The as-prepared AuNPs/GOQDs nanocomposites exhibit excellent dispersion stability, enhanced photothermal and ROS output, and superior biocompatibility. In vitro antibacterial assays demonstrate > 97% bacterial eradication efficiency against both Gram-positive and Gram-negative bacteria. More importantly, in a murine wound infection model, the nanocomposite enables ~99% wound healing within 9 days, significantly outperforming control treatments. Histological analysis further confirms accelerated tissue regeneration with reduced inflammation. This study highlights the critical function of GOQDs in amplifying light-triggered antibacterial activity and accelerating wound healing, offering a promising strategy for clinical phototherapy against multidrug-resistant pathogens.
The growing threat of antibiotic-resistant infections calls for advanced non-invasive therapeutic strategies. Herein, we construct a Schottky junction-based nanocomposite composed of gold nanoparticles (AuNPs) and graphene oxide quantum dots (GOQDs), where GOQDs serve as multifunctional building blocks to synergistically enhance both photodynamic therapy (PDT) and photothermal therapy (PTT) under 460 nm LED irradiation. GOQDs not only facilitate charge separation and transfer for reactive oxygen species (ROS) generation, but also improve photothermal conversion due to their broad optical absorption and high electron mobility. Moreover, their abundant surface functional groups enhance dispersion, biocompatibility, and tissue affinity. The as-prepared AuNPs/GOQDs nanocomposites exhibit excellent dispersion stability, enhanced photothermal and ROS output, and superior biocompatibility. In vitro antibacterial assays demonstrate > 97% bacterial eradication efficiency against both Gram-positive and Gram-negative bacteria. More importantly, in a murine wound infection model, the nanocomposite enables ~99% wound healing within 9 days, significantly outperforming control treatments. Histological analysis further confirms accelerated tissue regeneration with reduced inflammation. This study highlights the critical function of GOQDs in amplifying light-triggered antibacterial activity and accelerating wound healing, offering a promising strategy for clinical phototherapy against multidrug-resistant pathogens.
2026, 42(7): 100228
doi: 10.1016/j.actphy.2025.100228
Abstract:
Organic solar cells (OSCs) have emerged as a core research direction in new energy materials due to their lightweight, flexibility, and solution-processability. Bulk heterojunction (BHJ)-based OSCs have achieved continuous performance breakthroughs with power conversion efficiency (PCE) exceeding 20% in recent years, laying a critical foundation for practical commercialization. However, device lifetime has become a key bottleneck restricting large-scale application: under long-term storage or photo-thermal aging conditions, the BHJ active layer suffers from performance degradation due to the instability of its nano-interpenetrating network morphology, mainly caused by the aggregation of small-molecule acceptors (SMAs) that form large-sized domains and structural defects, damaging charge transport channels. To address this stability challenge, the oligomerization modification strategy for SMAs has been proposed, yielding polymer and oligomer acceptors. While polymer acceptors improve active layer stability by increasing molecular weight, they suffer from broad molecular weight distribution and significant batch-to-batch differences due to fluctuating coupling efficiency, failing to meet large-scale preparation requirements. In contrast, oligomer acceptors (especially dimer acceptors with two repeating units) overcome these limitations with fixed molecular structures, simple synthesis without complex molecular weight regulation, minimized batch-to-batch deviations, and effective inhibition of small-molecule migration/aggregation, achieving a triple balance of stability, synthetic simplicity, and batch reproducibility. Additionally, dimer acceptors serve as ideal third components in binary active layers: they induce ordered π-π stacking via intermolecular non-covalent interactions, precisely regulate active layer crystal size to match exciton diffusion length, reduce charge transport losses, and compensate for binary systems’ deficiencies in morphology regulation and performance stability. Currently, most reported dimer acceptors are based on fused-ring electron acceptors, featuring complex synthesis and high costs, while non-fused-ring electron acceptors offer simple design, few synthetic steps, and low cost via intramolecular non-covalent interactions (e.g., S…O, S…N interactions) and steric hindrance regulation. However, research on “non-fused-ring dimer acceptors” remains scarce, leaving a gap in combining non-fused-rings’ low cost with dimers’ lifetime and batch reproducibility advantages. To this end, this work designs and synthesizes a novel non-fused-ring dimer acceptor D-2BTH2F-H with simple preparation. The ternary OSCs based on D18:2BTH-2F:D-2BTH2F-H achieve a PCE of 17.95% and retain 80% of the initial efficiency after 1224 h of room-temperature storage, providing a new technical pathway for OSCs to balance low cost, high efficiency, long lifetime, and high batch reproducibility.
Organic solar cells (OSCs) have emerged as a core research direction in new energy materials due to their lightweight, flexibility, and solution-processability. Bulk heterojunction (BHJ)-based OSCs have achieved continuous performance breakthroughs with power conversion efficiency (PCE) exceeding 20% in recent years, laying a critical foundation for practical commercialization. However, device lifetime has become a key bottleneck restricting large-scale application: under long-term storage or photo-thermal aging conditions, the BHJ active layer suffers from performance degradation due to the instability of its nano-interpenetrating network morphology, mainly caused by the aggregation of small-molecule acceptors (SMAs) that form large-sized domains and structural defects, damaging charge transport channels. To address this stability challenge, the oligomerization modification strategy for SMAs has been proposed, yielding polymer and oligomer acceptors. While polymer acceptors improve active layer stability by increasing molecular weight, they suffer from broad molecular weight distribution and significant batch-to-batch differences due to fluctuating coupling efficiency, failing to meet large-scale preparation requirements. In contrast, oligomer acceptors (especially dimer acceptors with two repeating units) overcome these limitations with fixed molecular structures, simple synthesis without complex molecular weight regulation, minimized batch-to-batch deviations, and effective inhibition of small-molecule migration/aggregation, achieving a triple balance of stability, synthetic simplicity, and batch reproducibility. Additionally, dimer acceptors serve as ideal third components in binary active layers: they induce ordered π-π stacking via intermolecular non-covalent interactions, precisely regulate active layer crystal size to match exciton diffusion length, reduce charge transport losses, and compensate for binary systems’ deficiencies in morphology regulation and performance stability. Currently, most reported dimer acceptors are based on fused-ring electron acceptors, featuring complex synthesis and high costs, while non-fused-ring electron acceptors offer simple design, few synthetic steps, and low cost via intramolecular non-covalent interactions (e.g., S…O, S…N interactions) and steric hindrance regulation. However, research on “non-fused-ring dimer acceptors” remains scarce, leaving a gap in combining non-fused-rings’ low cost with dimers’ lifetime and batch reproducibility advantages. To this end, this work designs and synthesizes a novel non-fused-ring dimer acceptor D-2BTH2F-H with simple preparation. The ternary OSCs based on D18:2BTH-2F:D-2BTH2F-H achieve a PCE of 17.95% and retain 80% of the initial efficiency after 1224 h of room-temperature storage, providing a new technical pathway for OSCs to balance low cost, high efficiency, long lifetime, and high batch reproducibility.
2026, 42(7): 100232
doi: 10.1016/j.actphy.2025.100232
Abstract:
Metal doping is a key modification strategy for MnO2 cathodes in aqueous zinc-ion batteries, with parameter selection directly governing the resulting electrochemical performance. However, the intricate interplay among dopant type and concentration, synthesis conditions, and electrochemical performance renders the optimization of MnO2 cathodes for high electrochemical properties still elusive. Traditional trial-and-error experimental screening is time-consuming and expensive, and developing a unified guideline on the design of metal-doped MnO2 remains a long-standing challenge. To efficiently study the performance of metal-doped MnO2, we proposed a machine learning (ML) model driven by data from the literature. A dataset was constructed from 36 articles covering 21 dopant elements, integrating elemental descriptors, synthesis parameters, and electrochemical testing conditions. After feature filtering and model evaluation, the extreme gradient boosting (XGB) model achieves a high predictive accuracy with an R2 of 0.921 on the test set. Beyond prediction, model interpretability using Shapley additive explanations (SHAP) analysis identifies the dominant factors affecting capacity, revealing the influence of current density, dopant ratio, and molecular weight. Feature importance analysis further guided the design of a series of experiments that validated the accuracy and reliability of the model. Experiments on Fe- and Ni-doped MnO2 cathodes confirmed the ability of metal doping to enhance specific capacity, and the model achieved a mean absolute error (MAE) below 12 mAh g-1 for all cases. Density functional theory (DFT) calculations further verified the molecular-level mechanism of metal doping by demonstrating that dopant incorporation modulates the electronic structure of MnO2 and narrows the bandgap, improving conductivity. The consistency between the ML results, experimental validation, and theoretical calculations highlights the robustness of the proposed framework. Having established the feasibility from multiple perspectives, we further deployed a performance prediction platform based on this model, providing a convenient tool for researchers to rapidly estimate the specific capacity of metal-doped MnO2 under user-defined conditions. This work demonstrates a comprehensive data-driven paradigm that integrates ML, experimental validation, and theoretical calculations. We believe that this approach provides a new strategy and framework for the rational design of high-performance MnO2 cathodes, and is broadly applicable for accelerating the discovery of other metal-doped energy storage materials.
Metal doping is a key modification strategy for MnO2 cathodes in aqueous zinc-ion batteries, with parameter selection directly governing the resulting electrochemical performance. However, the intricate interplay among dopant type and concentration, synthesis conditions, and electrochemical performance renders the optimization of MnO2 cathodes for high electrochemical properties still elusive. Traditional trial-and-error experimental screening is time-consuming and expensive, and developing a unified guideline on the design of metal-doped MnO2 remains a long-standing challenge. To efficiently study the performance of metal-doped MnO2, we proposed a machine learning (ML) model driven by data from the literature. A dataset was constructed from 36 articles covering 21 dopant elements, integrating elemental descriptors, synthesis parameters, and electrochemical testing conditions. After feature filtering and model evaluation, the extreme gradient boosting (XGB) model achieves a high predictive accuracy with an R2 of 0.921 on the test set. Beyond prediction, model interpretability using Shapley additive explanations (SHAP) analysis identifies the dominant factors affecting capacity, revealing the influence of current density, dopant ratio, and molecular weight. Feature importance analysis further guided the design of a series of experiments that validated the accuracy and reliability of the model. Experiments on Fe- and Ni-doped MnO2 cathodes confirmed the ability of metal doping to enhance specific capacity, and the model achieved a mean absolute error (MAE) below 12 mAh g-1 for all cases. Density functional theory (DFT) calculations further verified the molecular-level mechanism of metal doping by demonstrating that dopant incorporation modulates the electronic structure of MnO2 and narrows the bandgap, improving conductivity. The consistency between the ML results, experimental validation, and theoretical calculations highlights the robustness of the proposed framework. Having established the feasibility from multiple perspectives, we further deployed a performance prediction platform based on this model, providing a convenient tool for researchers to rapidly estimate the specific capacity of metal-doped MnO2 under user-defined conditions. This work demonstrates a comprehensive data-driven paradigm that integrates ML, experimental validation, and theoretical calculations. We believe that this approach provides a new strategy and framework for the rational design of high-performance MnO2 cathodes, and is broadly applicable for accelerating the discovery of other metal-doped energy storage materials.
2026, 42(7): 100272
doi: 10.1016/j.actphy.2026.100272
Abstract:
The low emissivity of traditional metal across the entire infrared spectrum causes excessive heat accumulation on the infrared stealth materials. It leads to an abnormally elevation in surface temperature, restricting the optimization of infrared stealth performance. In this paper, a robust selective thermal radiation polyimide composite fabric (PA66/Ni@PI) is prepared by integrating wet-chemical metallization with polyamide 66 (PA66) coating on the surface of polyimide fabric (PI). A silver-activated electroless nickel plating effectively promotes the formation of conductive network with low infrared emissivity. Benefited from the existence of unique polyamide structure, the high transmittance of PA66 coating in 3-5 and 8-14 μm facilitates the expression of low-emissivity performance in Ni@PI, while the high absorptance of that in 5-8 μm endows PA66/Ni@PI with high emissivity for radiative cooling. As a result, an optimal infrared stealth performance can be successfully achieved under selective thermal radiation. Meanwhile, the formation of a continuous conductive nickel plating brings excellent electromagnetic interference shielding performance. Such outstanding comprehensive performance makes it possible for PA66/Ni@PI to become a potential candidate with competitive advantage in military camouflage.
The low emissivity of traditional metal across the entire infrared spectrum causes excessive heat accumulation on the infrared stealth materials. It leads to an abnormally elevation in surface temperature, restricting the optimization of infrared stealth performance. In this paper, a robust selective thermal radiation polyimide composite fabric (PA66/Ni@PI) is prepared by integrating wet-chemical metallization with polyamide 66 (PA66) coating on the surface of polyimide fabric (PI). A silver-activated electroless nickel plating effectively promotes the formation of conductive network with low infrared emissivity. Benefited from the existence of unique polyamide structure, the high transmittance of PA66 coating in 3-5 and 8-14 μm facilitates the expression of low-emissivity performance in Ni@PI, while the high absorptance of that in 5-8 μm endows PA66/Ni@PI with high emissivity for radiative cooling. As a result, an optimal infrared stealth performance can be successfully achieved under selective thermal radiation. Meanwhile, the formation of a continuous conductive nickel plating brings excellent electromagnetic interference shielding performance. Such outstanding comprehensive performance makes it possible for PA66/Ni@PI to become a potential candidate with competitive advantage in military camouflage.
2026, 42(7): 100274
doi: 10.1016/j.actphy.2026.100274
Abstract:
Converting CO2 into multi-carbon hydrocarbons through artificial photosynthesis remains challenging due to sluggish C-C coupling dynamics and complex multi-electron processes. In this study, ultrathin In2.77S4/CuInS2 heterojunctions with abundant sulfur vacancies (SV) were synthesized via a one-step hydrothermal method. The S-scheme charge-transfer mechanism, driven by the built-in electric field, was confirmed through in situ X-ray photoelectron spectroscopy (XPS), femtosecond transient absorption spectroscopy (fs-TAS) and photoelectrochemical characterization. This S-scheme heterojunction not only enhanced the separation efficiency of photogenerated charge carriers but also maintained excellent reduction capability, enabling CO2 photoreduction to C2 hydrocarbons. Furthermore, experimental results and density functional theory (DFT) calculations demonstrated that SV shortened the Cu-In active site distance, optimized the local charge density and lowered the energy barrier for critical dimer formation (*CHOCO), thereby accelerating the C-C coupling kinetics. Finally, the In2.77S4/CuInS2-4 catalyst exhibited excellent yield (47.2 μmol g-1 h-1) and selectivity (99.1%) of C2H4, which attributed to the synergistic effect of efficient carrier rectification by the S scheme heterojunction and optimized C-C coupling dynamics facilitated by SV. Furthermore, isotope labeling confirmed CO2 as the sole carbon source for the reaction. Overall, this “sulfur vacancy-heterojunction” strategy for CO2 photoreduction to C2H4 with superior electron selectivity offers valuable insights into CO2 utilization.
Converting CO2 into multi-carbon hydrocarbons through artificial photosynthesis remains challenging due to sluggish C-C coupling dynamics and complex multi-electron processes. In this study, ultrathin In2.77S4/CuInS2 heterojunctions with abundant sulfur vacancies (SV) were synthesized via a one-step hydrothermal method. The S-scheme charge-transfer mechanism, driven by the built-in electric field, was confirmed through in situ X-ray photoelectron spectroscopy (XPS), femtosecond transient absorption spectroscopy (fs-TAS) and photoelectrochemical characterization. This S-scheme heterojunction not only enhanced the separation efficiency of photogenerated charge carriers but also maintained excellent reduction capability, enabling CO2 photoreduction to C2 hydrocarbons. Furthermore, experimental results and density functional theory (DFT) calculations demonstrated that SV shortened the Cu-In active site distance, optimized the local charge density and lowered the energy barrier for critical dimer formation (*CHOCO), thereby accelerating the C-C coupling kinetics. Finally, the In2.77S4/CuInS2-4 catalyst exhibited excellent yield (47.2 μmol g-1 h-1) and selectivity (99.1%) of C2H4, which attributed to the synergistic effect of efficient carrier rectification by the S scheme heterojunction and optimized C-C coupling dynamics facilitated by SV. Furthermore, isotope labeling confirmed CO2 as the sole carbon source for the reaction. Overall, this “sulfur vacancy-heterojunction” strategy for CO2 photoreduction to C2H4 with superior electron selectivity offers valuable insights into CO2 utilization.
2026, 42(7): 100275
doi: 10.1016/j.actphy.2026.100275
Abstract:
The escalating issue of electromagnetic (EM) pollution necessitates the development of multifunctional materials integrating efficient absorption with thermal management. Herein, we report a dual-functional design based on interface-engineered Mo2C MXenes. Through a molten-salt etching strategy, metal ions (Cu/Fe) were in situ doped into Mo2C, constructing heterostructures that significantly enhance interfacial polarization and defect-induced dipole relaxation. The optimized Mo2C/Fe composite demonstrates exceptional EM absorption performance, achieving the reflection loss of -41.8 dB at 2.0 mm with a broad bandwidth of 5.12 GHz. This enhancement is attributed to the synergistic effect of optimized impedance matching and multi-scale polarization loss mechanisms. Furthermore, the derived Mo2C/Fe aerogel exhibits ultralow density (0.0235 g cm-3) and outstanding thermal insulation (ΔT < 20 °C at 80 °C), exhibiting superior corrosion resistance in neutral environments. This work develops a viable design strategy for advanced MXene-based composites, demonstrating their dual functionality in efficient EM absorption and effective thermal insulation.
The escalating issue of electromagnetic (EM) pollution necessitates the development of multifunctional materials integrating efficient absorption with thermal management. Herein, we report a dual-functional design based on interface-engineered Mo2C MXenes. Through a molten-salt etching strategy, metal ions (Cu/Fe) were in situ doped into Mo2C, constructing heterostructures that significantly enhance interfacial polarization and defect-induced dipole relaxation. The optimized Mo2C/Fe composite demonstrates exceptional EM absorption performance, achieving the reflection loss of -41.8 dB at 2.0 mm with a broad bandwidth of 5.12 GHz. This enhancement is attributed to the synergistic effect of optimized impedance matching and multi-scale polarization loss mechanisms. Furthermore, the derived Mo2C/Fe aerogel exhibits ultralow density (0.0235 g cm-3) and outstanding thermal insulation (ΔT < 20 °C at 80 °C), exhibiting superior corrosion resistance in neutral environments. This work develops a viable design strategy for advanced MXene-based composites, demonstrating their dual functionality in efficient EM absorption and effective thermal insulation.
2026, 42(7): 100283
doi: 10.1016/j.actphy.2026.100283
Abstract:
Synchronously enhancing absorption ability, expanding absorption bandwidth, and reducing matching thickness still pose significant challenges for a single material. In this work, laminated powders were prepared by vertically milling amorphous FeSiBCr powder. Due to the high energy during milling process, ~15 nm α-Fe phase and ~3 nm surface oxidation layer appeared in laminated FeSiBCr, which created multiple dielectric relaxation, magnetic-dielectric interface and planar anisotropy. Multiple dielectric relaxation originating from crystalline/amorphous heterostructures and oxide layer contributed to low permittivity and enhanced dielectric loss capacity, planar anisotropy induced by flaky morphology and α-Fe phase improved permeability and magnetic loss ability. Low permittivity and high permeability facilitated impedance matching. Enhanced loss capability and good impedance matching resulted in good absorption performances. Compared with that (RLm of -8.99 dB at 2.6 mm and EAB of 0 GHz) of FeSiBCr flakes, the laminated FeSiBCr exhibited an effective absorption bandwidth (EAB) of 6.56 GHz at 1.8 mm thickness and the minimal reflection loss (RLm) of -34.22 dB at 2.0 mm. Moreover, the periodic gradient structure excited resonance at different frequencies to form multiple resonance superposition, thus expanding EAB to 13.18 GHz with an increase of up to 200.9%. This work offers a new approach for the rational design of laminated amorphous materials with crystalline/amorphous heterostructures for efficient microwave absorbers.
Synchronously enhancing absorption ability, expanding absorption bandwidth, and reducing matching thickness still pose significant challenges for a single material. In this work, laminated powders were prepared by vertically milling amorphous FeSiBCr powder. Due to the high energy during milling process, ~15 nm α-Fe phase and ~3 nm surface oxidation layer appeared in laminated FeSiBCr, which created multiple dielectric relaxation, magnetic-dielectric interface and planar anisotropy. Multiple dielectric relaxation originating from crystalline/amorphous heterostructures and oxide layer contributed to low permittivity and enhanced dielectric loss capacity, planar anisotropy induced by flaky morphology and α-Fe phase improved permeability and magnetic loss ability. Low permittivity and high permeability facilitated impedance matching. Enhanced loss capability and good impedance matching resulted in good absorption performances. Compared with that (RLm of -8.99 dB at 2.6 mm and EAB of 0 GHz) of FeSiBCr flakes, the laminated FeSiBCr exhibited an effective absorption bandwidth (EAB) of 6.56 GHz at 1.8 mm thickness and the minimal reflection loss (RLm) of -34.22 dB at 2.0 mm. Moreover, the periodic gradient structure excited resonance at different frequencies to form multiple resonance superposition, thus expanding EAB to 13.18 GHz with an increase of up to 200.9%. This work offers a new approach for the rational design of laminated amorphous materials with crystalline/amorphous heterostructures for efficient microwave absorbers.
2026, 42(7): 100287
doi: 10.1016/j.actphy.2026.100287
Abstract:
Pd-based materials as the promising catalysts for ethanol oxidation reaction (EOR) are still intrinsically limited by the surface electronic-structure trade-off between ethanol adsorption and CH3CO intermediate desorption. Herein, the Pd supported on N/S co-doped carbon (Pd@SNC) catalyst is synthesized, in which the doped S and N atoms could transfer moderate amounts electron to Pd, leading to opportune electron structure of Pd. Moreover, the moderate negative shift of d-band center demonstrate that the opportune Pd electron structure can strengthen adsorption of ethanol/OH- and promote the desorption of intermediate (CH3CO*), which may facilitate the kinetics. As a result, Pd@SNC exhibiting the highest catalytic activity for EOR (945.49 mA mgPd-1), surpassing to that of Pd@NC and Pd@C. Due to the fact that the electronic structure of Pd is properly regulated by co-doped N and S atoms, as shown by the theoretical calculation results, Pd@SNC exhibits the lowest reaction energy barrier of the dehydrogenation during the process of EOR.
Pd-based materials as the promising catalysts for ethanol oxidation reaction (EOR) are still intrinsically limited by the surface electronic-structure trade-off between ethanol adsorption and CH3CO intermediate desorption. Herein, the Pd supported on N/S co-doped carbon (Pd@SNC) catalyst is synthesized, in which the doped S and N atoms could transfer moderate amounts electron to Pd, leading to opportune electron structure of Pd. Moreover, the moderate negative shift of d-band center demonstrate that the opportune Pd electron structure can strengthen adsorption of ethanol/OH- and promote the desorption of intermediate (CH3CO*), which may facilitate the kinetics. As a result, Pd@SNC exhibiting the highest catalytic activity for EOR (945.49 mA mgPd-1), surpassing to that of Pd@NC and Pd@C. Due to the fact that the electronic structure of Pd is properly regulated by co-doped N and S atoms, as shown by the theoretical calculation results, Pd@SNC exhibits the lowest reaction energy barrier of the dehydrogenation during the process of EOR.
2026, 42(7): 100289
doi: 10.1016/j.actphy.2026.100289
Abstract:
In recent years, heteroatom doping and the introduction of built-in electric fields (BIEF) have emerged as key strategies for enhancing electromagnetic wave (EW) absorption. BIEF facilitates the redistribution of discrete charges at material interfaces, inducing spatial charge polarization, while heteroatom doping further modulates electron mobility and introduces internal defects. Together, these effects synergistically enhance the material's EW absorption properties. In this study, a stable Mott-Schottky heterojunction was constructed by coating MoS2 onto the surface of carbon fiber (CF) via a combination of sintering and a simple hydrothermal reaction. Three variations were subsequently prepared to investigate the effects of heteroatom doping and BIEF: MoS2-coated CF (CM), N-MoS2-coated CF (CNM), and N-MoS2-coated P-CF (PCNM). The influence of heteroatom doping on the absorption properties of materials with an internal electric field, as well as the effect of N-MoS2 content on EW absorption performance, was systematically examined. Notably, the PCNM-1 sample exhibited exceptional EW absorption performance, which can be attributed to the synergistic interaction between heteroatom doping and BIEF, combined with the optimized material composition. Specifically, PCNM-1 achieved an optimal reflection loss (RL) of -45.76 dB at 17.52 GHz with a thickness of 1.2 mm, alongside an effective absorption bandwidth (EAB) of 4.0 GHz. Radar cross-section (RCS) simulations further demonstrated its remarkable EW stealth capability. Overall, this study provides valuable insights into the rational design of advanced EW absorbers by leveraging the synergistic effects of heteroatom doping and BIEFs, offering a promising approach for developing high-performance, compositionally tunable EW absorption materials.
In recent years, heteroatom doping and the introduction of built-in electric fields (BIEF) have emerged as key strategies for enhancing electromagnetic wave (EW) absorption. BIEF facilitates the redistribution of discrete charges at material interfaces, inducing spatial charge polarization, while heteroatom doping further modulates electron mobility and introduces internal defects. Together, these effects synergistically enhance the material's EW absorption properties. In this study, a stable Mott-Schottky heterojunction was constructed by coating MoS2 onto the surface of carbon fiber (CF) via a combination of sintering and a simple hydrothermal reaction. Three variations were subsequently prepared to investigate the effects of heteroatom doping and BIEF: MoS2-coated CF (CM), N-MoS2-coated CF (CNM), and N-MoS2-coated P-CF (PCNM). The influence of heteroatom doping on the absorption properties of materials with an internal electric field, as well as the effect of N-MoS2 content on EW absorption performance, was systematically examined. Notably, the PCNM-1 sample exhibited exceptional EW absorption performance, which can be attributed to the synergistic interaction between heteroatom doping and BIEF, combined with the optimized material composition. Specifically, PCNM-1 achieved an optimal reflection loss (RL) of -45.76 dB at 17.52 GHz with a thickness of 1.2 mm, alongside an effective absorption bandwidth (EAB) of 4.0 GHz. Radar cross-section (RCS) simulations further demonstrated its remarkable EW stealth capability. Overall, this study provides valuable insights into the rational design of advanced EW absorbers by leveraging the synergistic effects of heteroatom doping and BIEFs, offering a promising approach for developing high-performance, compositionally tunable EW absorption materials.
2026, 42(7): 100290
doi: 10.1016/j.actphy.2026.100290
Abstract:
Heterostructure design serves as a critical approach for synergistically enhancing the performance of electromagnetic wave absorption (EMWA) materials. Nevertheless, creating composite materials, derived from covalent/metal-organic frameworks (COFs/MOFs) that possess both excellent absorption intensity and broadband response remains a substantial challenge. In this work, the Fe3C/NC/TiO2 composites were successfully prepared via a solvothermal route coupled with subsequent high-temperature carbonization. Built-in electric field within the heterostructure enables synergy of multiple loss mechanisms. The EMWA performance of the samples initially ascended and subsequently declined with variations in composition. In particular, the sample achieved a minimum reflection loss value of -55.79 dB at a matching thickness of 2.57 mm, with an effective absorption bandwidth value of 5.44 GHz (10.40-15.84 GHz). The outstanding performance can be ascribed to the synergistic effects of multiple loss mechanisms, including interfacial polarization, magnetic loss, and dielectric loss, which jointly enhance the impedance matching characteristics and dissipation properties. Density functional theory indicates that both materials are intrinsically conductive. Upon forming a heterostructure, charge density difference analysis reveals charge transfer, suggesting that the built-in electric field between them facilitates electron transport. This study outlines a synthetic strategy centered on MOFs/COFs derivatives, providing valuable avenue for the designing of high-performance EMWA materials with remarkable absorption and broadband coverage.
Heterostructure design serves as a critical approach for synergistically enhancing the performance of electromagnetic wave absorption (EMWA) materials. Nevertheless, creating composite materials, derived from covalent/metal-organic frameworks (COFs/MOFs) that possess both excellent absorption intensity and broadband response remains a substantial challenge. In this work, the Fe3C/NC/TiO2 composites were successfully prepared via a solvothermal route coupled with subsequent high-temperature carbonization. Built-in electric field within the heterostructure enables synergy of multiple loss mechanisms. The EMWA performance of the samples initially ascended and subsequently declined with variations in composition. In particular, the sample achieved a minimum reflection loss value of -55.79 dB at a matching thickness of 2.57 mm, with an effective absorption bandwidth value of 5.44 GHz (10.40-15.84 GHz). The outstanding performance can be ascribed to the synergistic effects of multiple loss mechanisms, including interfacial polarization, magnetic loss, and dielectric loss, which jointly enhance the impedance matching characteristics and dissipation properties. Density functional theory indicates that both materials are intrinsically conductive. Upon forming a heterostructure, charge density difference analysis reveals charge transfer, suggesting that the built-in electric field between them facilitates electron transport. This study outlines a synthetic strategy centered on MOFs/COFs derivatives, providing valuable avenue for the designing of high-performance EMWA materials with remarkable absorption and broadband coverage.
2026, 42(7): 100217
doi: 10.1016/j.actphy.2025.100217
Abstract:
Potassium-ion batteries (PIBs) have emerged as promising candidates for large-scale energy storage systems, owing to the abundant potassium resources and electrochemical properties similar to those of lithium-ion systems. Cathode materials play a pivotal role in determining the overall performance of PIBs. Among them, transition metal oxides (TMOs) have attracted extensive research interest due to their high theoretical capacity, suitable operating voltage, and tunable crystal structures. However, the relatively large ionic radius of K+ often leads to significant volume variation and anisotropic strain during (de)intercalation, which induces irreversible phase transitions, severe lattice distortion, and structural collapse. In addition, the Jahn-Teller effect associated with transition-metal ions such as Mn3+ further aggravates local structural distortion and triggers transition metal dissolution, severely limiting the cycling stability and energy density of TMO cathodes. These issues underscore the importance of rational material design and interface regulation to achieve stable electrochemical performance. This review systematically summarizes the recent progress in TMO cathode materials for PIBs, encompassing evaluation metrics and synthesis methods. A variety of modification strategies, including elemental doping, surface coating, and multi-scale structural design, have been developed to modulate lattice parameters and defects, suppress phase transitions, and enhance ionic conductivity, operating voltage, structural stability, and cycling endurance. Among these approaches, P2/P3 biphasic integration and high-entropy doping, for example, have been shown to effectively inhibit Jahn-Teller distortion and volume change, thereby enabling long-term cyclability. In addition, the combination of in situ characterization and theoretical calculations has significantly deepened the understanding of K+ storage mechanisms and structure-performance relationships. Notwithstanding the substantial progress achieved, several critical challenges persist. These include capacity enhancement and structural stability optimization, cycle life improvement and the formulation of integrated strategies, cathode-electrolyte interphase engineering, the development of composite materials and hybrid systems, ensuring manufacturing consistency and scalability, advancing theoretical modeling and computational guidance, as well as leveraging artificial intelligence (AI)-assisted material design and prediction. Future efforts should focus on developing novel structural motifs, optimizing electrode/electrolyte interfaces, advancing sustainable manufacturing processes, and integrating AI-guided material design. This review provides a comprehensive overview of mechanistic strategies and recent progress, offering valuable insights for the rational design of high-performance PIBs suitable for practical applications in large-scale energy storage and next-generation energy storage applications.
Potassium-ion batteries (PIBs) have emerged as promising candidates for large-scale energy storage systems, owing to the abundant potassium resources and electrochemical properties similar to those of lithium-ion systems. Cathode materials play a pivotal role in determining the overall performance of PIBs. Among them, transition metal oxides (TMOs) have attracted extensive research interest due to their high theoretical capacity, suitable operating voltage, and tunable crystal structures. However, the relatively large ionic radius of K+ often leads to significant volume variation and anisotropic strain during (de)intercalation, which induces irreversible phase transitions, severe lattice distortion, and structural collapse. In addition, the Jahn-Teller effect associated with transition-metal ions such as Mn3+ further aggravates local structural distortion and triggers transition metal dissolution, severely limiting the cycling stability and energy density of TMO cathodes. These issues underscore the importance of rational material design and interface regulation to achieve stable electrochemical performance. This review systematically summarizes the recent progress in TMO cathode materials for PIBs, encompassing evaluation metrics and synthesis methods. A variety of modification strategies, including elemental doping, surface coating, and multi-scale structural design, have been developed to modulate lattice parameters and defects, suppress phase transitions, and enhance ionic conductivity, operating voltage, structural stability, and cycling endurance. Among these approaches, P2/P3 biphasic integration and high-entropy doping, for example, have been shown to effectively inhibit Jahn-Teller distortion and volume change, thereby enabling long-term cyclability. In addition, the combination of in situ characterization and theoretical calculations has significantly deepened the understanding of K+ storage mechanisms and structure-performance relationships. Notwithstanding the substantial progress achieved, several critical challenges persist. These include capacity enhancement and structural stability optimization, cycle life improvement and the formulation of integrated strategies, cathode-electrolyte interphase engineering, the development of composite materials and hybrid systems, ensuring manufacturing consistency and scalability, advancing theoretical modeling and computational guidance, as well as leveraging artificial intelligence (AI)-assisted material design and prediction. Future efforts should focus on developing novel structural motifs, optimizing electrode/electrolyte interfaces, advancing sustainable manufacturing processes, and integrating AI-guided material design. This review provides a comprehensive overview of mechanistic strategies and recent progress, offering valuable insights for the rational design of high-performance PIBs suitable for practical applications in large-scale energy storage and next-generation energy storage applications.
2026, 42(7): 100225
doi: 10.1016/j.actphy.2025.100225
Abstract:
The Nobel prize in chemistry 2025 was awarded to S. Kitagawa, R. Robson and O. M. Yaghi for the development of metal-organic frameworks (MOFs). As a star material of the 21st century, MOFs owning big specific surface areas, nanoscale porosities coupled with diverse topological structures, have been successfully applied in many fields. No longer limited to the traditional gas adsorption, separation and catalysis, MOFs, representing the state-of-the-art porous materials, have also showcased promising applications in some emerging realms, such as atmospheric water harvesting, pathogen detection, and uranium extraction from seawater. Yaghi presented a vital review on the optimal properties of MOFs before 2013 in Science; however, some remarkable breakthroughs in MOF properties have been made since then. The reticular chemistry-guided assembly of inorganic cations (nodes) with organic ligands (linkers) may lead to mixed-component MOFs with the synergistic combinations of the excellent performance from mono-component MOFs. The introduction of artificial intelligence technology into MOF fields can provide more opportunities for scientists to rapidly design and manufacture novel MOFs with tailored properties. In addition, novel porous isoreticular non-MOFs synthesized based on an inverse MOFs design strategy (negatively charged nodes and positively charged linkers) may open up a new research hotspot for MOF materials.
The Nobel prize in chemistry 2025 was awarded to S. Kitagawa, R. Robson and O. M. Yaghi for the development of metal-organic frameworks (MOFs). As a star material of the 21st century, MOFs owning big specific surface areas, nanoscale porosities coupled with diverse topological structures, have been successfully applied in many fields. No longer limited to the traditional gas adsorption, separation and catalysis, MOFs, representing the state-of-the-art porous materials, have also showcased promising applications in some emerging realms, such as atmospheric water harvesting, pathogen detection, and uranium extraction from seawater. Yaghi presented a vital review on the optimal properties of MOFs before 2013 in Science; however, some remarkable breakthroughs in MOF properties have been made since then. The reticular chemistry-guided assembly of inorganic cations (nodes) with organic ligands (linkers) may lead to mixed-component MOFs with the synergistic combinations of the excellent performance from mono-component MOFs. The introduction of artificial intelligence technology into MOF fields can provide more opportunities for scientists to rapidly design and manufacture novel MOFs with tailored properties. In addition, novel porous isoreticular non-MOFs synthesized based on an inverse MOFs design strategy (negatively charged nodes and positively charged linkers) may open up a new research hotspot for MOF materials.
