Advanced Functional Materials最新文献

{"title":"Generative Inverse Design for Property-Targeted Materials Design: Application to Shape Memory Alloys","authors":"Cheng Li, Pengfei Dang, Yuehui Xian, Yumei Zhou, Bofeng Shi, Xiangdong Ding, Jun Sun, Dezhen Xue","doi":"10.1002/adfm.202527774","DOIUrl":"https://doi.org/10.1002/adfm.202527774","url":null,"abstract":"The design of shape memory alloys (SMAs) with high transformation temperatures and large mechanical work output remains a longstanding challenge in functional materials engineering. Here, we introduce a data-driven framework based on generative adversarial network (GAN) inversion for the inverse design of high-performance SMAs. By coupling a pretrained GAN with a property prediction model, we perform gradient-based latent space optimization to directly generate candidate alloy compositions and processing parameters that aim at meeting specific performance targets. The framework is experimentally validated through the synthesis and characterization of five NiTi-based SMAs. Among them, the <span data-altimg=\"/cms/asset/115a8ead-183b-4e03-8484-423883d78c4a/adfm75352-math-0001.png\"></span><mjx-container ctxtmenu_counter=\"80\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adfm75352-math-0001.png\"><mjx-semantics><mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-role=\"unknown\" data-semantic-speech=\"upper N i 49.8\" data-semantic-type=\"subscript\"><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c></mjx-c><mjx-c></mjx-c></mjx-mi><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"float\" data-semantic-type=\"number\" size=\"s\"><mjx-c></mjx-c><mjx-c></mjx-c><mjx-c></mjx-c><mjx-c></mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-semantics></mjx-math><mjx-assistive-mml display=\"inline\" unselectable=\"on\"><math altimg=\"urn:x-wiley:1616301X:media:adfm75352:adfm75352-math-0001\" display=\"inline\" location=\"graphic/adfm75352-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><semantics><msub data-semantic-=\"\" data-semantic-children=\"0,1\" data-semantic-role=\"unknown\" data-semantic-speech=\"upper N i 49.8\" data-semantic-type=\"subscript\"><mi data-semantic-=\"\" data-semantic-font=\"normal\" data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\">Ni</mi><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"2\" data-semantic-role=\"float\" data-semantic-type=\"number\">49.8</mn></msub>${rm Ni}_{49.8}$</annotation></semantics></math></mjx-assistive-mml></mjx-container><span data-altimg=\"/cms/asset/410ff111-9f62-4c4c-9d9f-8cea0eaa47d0/adfm75352-math-0002.png\"></span><mjx-container ctxtmenu_counter=\"81\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adfm75352-math-0002.png\"><mjx-semantics><mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-role=\"unknown\" data-semantic-speech=\"upper T i","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"27 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient Membranes Made of a Nanohybrid of Fluorine-Doped Carbon Dots Coupled With Metal Organic Framework for High-Performance Vanadium Redox Flow Battery","authors":"Tan Trung Kien Huynh, Nayanthara P. S., Muhammad Fawad Khan, Tong Yang, Zijian Cai, Saveen Senanayake, Yang Yang, Jiaye Ye, Hongxia Wang","doi":"10.1002/adfm.75595","DOIUrl":"https://doi.org/10.1002/adfm.75595","url":null,"abstract":"The commercially available membranes for vanadium redox flow battery (VRFB) suffer from severe vanadium ion crossover, resulting in less than satisfactory stability with the batteries. Herein, a sulfonated poly(ether ether ketone)-based membrane incorporating fluorine-doped carbon dots (FCD) and functionalized metal–organic framework (MIL−101−NH₂) nanohybrids (FCDM) is developed for VRFB. The incorporation of FCDM into the hybrid membrane is found to promote proton conduction thanks to the porous structure and functional amine groups of MIL−101−NH_2, which provide abundant pathways for proton conduction, while FCD further enhances the interface compatibility with the polymer matrix and provides additional active sites for proton transport. In addition, the FCD modulates the pores of MIL−101−NH₂, further regulating the ion transport channels and effectively inhibiting vanadium ion permeability to achieve high ion selectivity. Consequently, the VRFB with the optimized hybrid membrane delivered high Coulombic efficiency (99.75%) and energy efficiency (85.6%) at 120 mA cm⁻² over 1000 cycles. Furthermore, the capacity retention of the batteries with the hybrid membrane (81.5%) is 10-fold higher than that of the commercial Nafion 212 membrane (8.1%) under the same conditions. The superior performance of the hybrid membranes suggests a promising strategy for designing next-generation membranes with tailored nanostructures for VRFB.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"328 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Encapsulated Nanoconfined Microenvironment and Fluorine Coordination Boost Selective Peroxymonosulfate Activation Toward Co(IV)=O Dominated High-Efficiency Pollutant Degradation and Biotoxicity Abatement","authors":"Xuezhi Li, Wenle Xing, Naif Abdullah Al-Dhabi, Yong Long, Yangzhuang Zhu, Kunyue Luo, Kanxin Jiang, Wangwang Tang","doi":"10.1002/adfm.75641","DOIUrl":"https://doi.org/10.1002/adfm.75641","url":null,"abstract":"High-valent cobalt-oxo (Co(IV) = O) is a type of powerful non-radical reactive substance in the peroxymonosulfate (PMS)-based advanced oxidation processes (AOPs). Nevertheless, its formation is challenging arising from the high 3d-orbital occupancy of Co impeding binding with a terminal oxygen ligand. This study innovatively proposed a unique spherical core-cavity-shell catalyst comprising nitrogen-doped carbon-encapsulated CoF₂ nanoparticles (denoted as <i>x</i>-CoF₂@NC) for efficient PMS activation toward selective generation of Co(IV) = O. The boosted Co(IV) = O generation was attributed to the strong electronegativity of fluorine, which significantly enhanced the surface charge polarization and reduced the local electron density at cobalt active sites. Moreover, the encapsulated nanoconfined microenvironment facilitated the enrichment of reactants within the catalyst's internal cavities, prolonging their residence time and improving the utilization efficiency of Co(IV) = O. As a result, the Co(IV) = O dominated 3-CoF₂@NC/PMS system exhibited outstanding catalytic activity and remarkable environmental robustness. Within 5 min, it can achieve a 100% removal of sulfamethazine (SMT) with low Co leaching. Moreover, it showed good performance in diverse water matrices and can be extended for dealing with multiple organic contaminants. Additionally, SMT pollutant degradation pathways are elucidated and the biotoxicity abatement is verified. This study lays a foundation for the future development of efficient environmental catalysts capable of selectively generating Co(IV) = O for organic wastewater treatment.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"28 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic Interfacial Engineering of Small Molecule-Modified 1T-Phase MoS2 for Robust Electromagnetic Interference Shielding Composites Hydrogel","authors":"Tengxiao Mu, Zixiang Zhao, Zizhao Ding, Dou Zhang, Chao Jiang","doi":"10.1002/adfm.75658","DOIUrl":"https://doi.org/10.1002/adfm.75658","url":null,"abstract":"The impact of high-frequency electromagnetic environments on the data accuracy of wearable smart devices necessitates the development of flexible, multifunctional, integrated electromagnetic interference (EMI) shielding materials. In this work, we demonstrate a flexible and multifunctional EMI shielding material fabricated from few-layer MoS₂, which has been functionalized with carboxylic acid-containing small-molecules (SF-MoS₂). This composite is embedded within a dual-network hydrogel matrix comprising polyvinyl alcohol (PVA) and sodium alginate (SA), which was called PS/SF-MoS₂. The elevated 1T phase content of MoS₂ (65.5%) provided superior conductivity. Supramolecular interactions between polar functional groups facilitated the formation of both the polymer scaffold and a 2D conductive network, synergistically enhancing EMI shielding through multiphase interfaces and conductive fillers. Consequently, PS/SF-MoS₂ achieved a maximum electromagnetic shielding effectiveness (SE_T) of 53.7 dB in the Ku band, coupled with an exceptional tensile strength of 450 kPa. The hydrogel also demonstrated rapid response/recovery times (38/39.9 ms) and sustained stable sensing functionality over 200 cycles. Critically, the SF-MoS₂ conductive filler simplifies processing complexity by eliminating the need for multi-material composite structural design, as required by traditional materials for similar functionalities, thus providing a new paradigm for the development of high-performance anti-electromagnetic interference wearable smart electronic devices.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"8 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metallized Epichlorohydrin Lignocellulose as a Lightweight Sustainable Current Collector for Fast-Charge Lithium-Ion Pouch Cells","authors":"Shurui Lin, Dongcheng Zhou, Xiumei Li, Qimin Guo, Shaohong Shi, Shengkui Zhong, Fangchao Cheng, Wei Liu","doi":"10.1002/adfm.202532194","DOIUrl":"https://doi.org/10.1002/adfm.202532194","url":null,"abstract":"Prevailing Cu current collectors (CCs) are heavy-weight and impermeable to electrolytes, greatly limiting the energy density and fast charge capability of lithium-ion batteries (LIBs). Meanwhile, the massive consumption of Cu raises concern on sustainability. Here, we report a metallized epichlorohydrin lignocellulose paper (MELCP) as lightweight and sustainable CCs for fast-charge LIBs. This was achieved via epichlorohydrinizing a lignocellulose paper and subsequent electrodeless Cu plating. The MELCP exhibits an areal density of only 34 g/m² (Cu = 19.9 g/m²), presenting 54.1% weight reduction and 73.1% Cu saving compared to conventional 8 µm Cu foil (74 g/m²). Replacing 8 µm Cu with MELCP enables &gt;19% improvement in energy density of graphite||NCM cells. When applied in multilayer pouch cells, the MELCP enables bidirectional lithium-ion transport, greatly mitigating charge polarization. Under 2C charge and 100% depth-of-discharge, the MELCP-based pouch cells retain 86.6% capacity after 200 cycles, far exceeding that of conventional Cu foil (63% capacity retention). Decent sustainability of MELCP was demonstrated with &gt;95% of Cu recycled, and the residual substrate degrades naturally. This work reports a sustainable CCs for developing high-energy and fast-charging LIBs.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"2 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Atomic-Scale Intermediate Polarization States Enable Superb Energy Storage in NaNbO3 Ceramics via Machine Learning","authors":"Ya Yang, Hongyu Yang, Peng Wang, Yawen Cui, Jiarong Lv, Dingheng Lin, Jinjun Liu, Tengfei Hu, Genshui Wang, Huajie Luo, Weiping Li, Zhongbin Pan","doi":"10.1002/adfm.75612","DOIUrl":"https://doi.org/10.1002/adfm.75612","url":null,"abstract":"Dielectric energy‑storage ceramics face a fundamental performance limitation stemming from the intrinsic trade‑off between achieving large polarization and minimizing hysteresis loss. This challenge is particularly pronounced in lead‑free NaNbO₃‑based materials, where high electric fields induce irreversible antiferroelectric-ferroelectric phase transitions. To overcome this limitation, we develop a machine‑learning‑assisted design strategy that guides the creation of atomic‑scale intermediate polarization states (IPSs) within dual‑phase NaNbO₃ heterostructures. Aberration‑corrected scanning transmission electron microscopy directly visualizes IPSs between the tetragonal (T-phase) and rhombohedral (R-phase), which reduce polarization anisotropy and flatten the free‑energy landscape, thereby enabling concurrent large polarization and minimal hysteresis. The optimized ceramic delivers a high recoverable energy density of 10.24 J cm⁻³ with an exceptional efficiency of 92% under 920 kV cm⁻¹. This work establishes a materials‑design paradigm that decouples polarization from energy loss through the integration of atomic-scale structural control and machine learning, providing a promising pathway toward advanced dielectrics for high-power energy-storage applications.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"34 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Atomically Dispersed Cr Doping Induced Oxide Pathway Mechanism of Hollow RuO2 to Boost Oxygen Evolution Stability for PEMWE","authors":"Shuhuan Han, Yingjie Liu, Xiaojie Wang, Xiaofei Zeng, Jianfeng Chen, Dapeng Cao","doi":"10.1002/adfm.75629","DOIUrl":"https://doi.org/10.1002/adfm.75629","url":null,"abstract":"Developing stable and efficient electrocatalysts for acidic oxygen evolution reactions (OER) is crucial for the commercialization of proton exchange membrane water electrolysis (PEMWE). Herein, we use the oxyphilic Cr to atomically doped RuO₂ hollow sphere and synthesize Cr_0.092-RuO₂ catalyst via a phase transition strategy. Theoretical and experimental results indicate that oxyphilic Cr can improve the adsorption of OH⁻, shorten the distance of bimetallic sites and promote the direct coupling of oxygen free radicals, causing the formation of the heterogeneous bimetallic oxide pathway mechanism (OPM), where Cr can serve as an electron donor to provide stable Cr-O─Ru bonds and effectively avoid the excessive oxidation of Ru. The electrocatalytic performance of Cr_0.092-RuO₂ is improved significantly, and it not only exhibits high OER activity (overpotential of 168 mV at 10 mA cm⁻²), but also outstanding catalytic stability (2800 h at 10 mA cm⁻²). As a result, the Cr_0.092-RuO₂-based PEMWE only needs 1.62 V at 1 A cm⁻² and runs stably for 400 h at 0.5 A cm⁻². In short, the OPM pathway of avoiding excessive oxidation of RuO₂ proposed here may be a useful strategy for developing highly efficient Ir-free OER catalysts for PEMWE.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"82 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polymer Interface Enables Reversible Quasi-Solid Sulfur Conversion in Sodium-Sulfur Batteries","authors":"Reza Andaveh, Ying Zhao, Enzhong Jin, Zixin Zhang, Vinicius Martins, Parham Pirayesh, Yi Gan, Yi Yuan, Yijia Wang, Frederick Benjamin Holness, Changhong Cao, Jun Song, Yang Zhao","doi":"10.1002/adfm.75583","DOIUrl":"https://doi.org/10.1002/adfm.75583","url":null,"abstract":"Room-temperature sodium–sulfur (Na─S) batteries are appealing candidates for large-scale energy storage owing to their high theoretical capacity and the use of earth-abundant, low-cost active materials. The quasi-solid conversion in Na─S batteries was proposed as a promising mechanism, lying between solid-liquid-solid and solid-solid mechanisms, with suppressed polysulfide dissolution while retaining faster kinetics, enabling stable, high-performance Na─S batteries. To realize the quasi-solid conversions, the rational design of the cathode-electrolyte interphase is the key; however, the study is at an early stage. Herein, a multifunctional cross-linked polymer (MCP) is first introduced as an artificial interface for the quasi-solid sulfur conversions in Na-S batteries with enhanced stability, faster kinetics, mechanical robustness, and improved chemical confinement. The MCP interfaces demonstrate significantly improved electrochemical performances for various nanocarbon hosts with a one-step quasi-solid sulfur reversible conversion mechanism, even under high sulfur loading. Our study offers new insights and design guidelines for artificial interfaces enabling quasi-solid conversion in Na─S batteries.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"5 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-Efficiency Optical Signal Transmission Achieved Using an Integrated Carbon Nanotube-Based 1D Emitter and 2D Detector","authors":"Hao-Zike Wang, Chao Chen, Shu-Yu Guo, You-Quan Zhang, Chun-Yang Sun, Yu-Ke Liu, Hai-Bo Zhao, Peng-Xiang Hou, Chang Liu","doi":"10.1002/adfm.75617","DOIUrl":"https://doi.org/10.1002/adfm.75617","url":null,"abstract":"Miniaturized and wearable optical communication technology is playing a vital role in a wide range of applications, including environmental and physiological monitoring systems, as well as remote sensing systems. However, it is difficult to manufacture efficient and flexible light emitters and detectors due to the intrinsic limitations of conventional semiconductors. We report a flexible and broadband carbon nanotube (CNT)-based optoelectronic device that consists of a CNT fiber emitter and a Bi₂Te₃/CNT film detector. The 1D CNT fiber significantly increases thermal emission by minimizing energy loss, while the 2D Bi₂Te₃/CNT-film efficiently detects the emitted light, because of its high light absorption and conversion capabilities. As a result, the constructed optoelectronic device has a record-high quality factor of 2.8 × 10⁵ S A m⁻¹ W⁻¹, which is an order of magnitude higher than that of reported carbon-based devices. A minimized and wearable optical communication system was constructed, which enables data transmission between a spun fiber emitter and a film detector. When integrated with wet-spinning equipment for the manufacture of CNT-fibers, it enabled the in situ testing of the quality of the fibers.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"23 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic d-Band Center Tailoring in Zn–Cu Dual-Atom Catalysts for Enhanced Polysulfide Conversion in Na–S Batteries","authors":"Xinpeng Gao, Ying Han, Yuanyuan Gao, Liangnou Yang, Qibo Yu, Fengping Xiao, Lei Zhang, Peng Hu","doi":"10.1002/adfm.75553","DOIUrl":"https://doi.org/10.1002/adfm.75553","url":null,"abstract":"Room-temperature sodium-sulfur (RT Na–S) batteries have garnered considerable interest due to their low cost and high energy density. However, their practical application is impeded by the dissolution and shuttle effect of sodium polysulfides. In this work, we design a novel Zn-Cu dual-atom catalyst supported on g-C₃N₄, which demonstrates superior catalytic activity and anchoring capability of the sulfur cathode through modulation of the electronic structure and adsorption configuration at the active sites. The catalyst is constructed by first fabricating single-atom Zn sites, followed by the reduction and anchoring of adjacent Cu atoms via photogenerated electrons, leading to the formation of stable heteronuclear Zn-Cu dual-atom sites. Theoretical simulations reveal that the introduction of Cu induces notable splitting of the Zn d-orbitals, upshifts the d-band center, and strengthens coupling with the p-orbitals of polysulfides. Moreover, the dual-atom site offers multiple adsorption geometries, synergistically promoting both chemical anchoring and conversion kinetics of polysulfides. Therefore, the designed ZnCu dual-atom-based cathode exhibits long cycle stability and rate capability. This study provides new perspectives for the rational design of dual-atom catalysts to suppress shuttle effects and accelerate reaction kinetics in RT Na–S batteries.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"21 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147755203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}