Haodong Bi, Huilin Zhang, Jisong Hu, Ling Kang, Yusuke Yamauchi, Bin Ding, Shude Liu
{"title":"Site‐Selectively Engineered MoS 2 /ReS 2 Heterostructures for High‐Performance Supercapacitors","authors":"Haodong Bi, Huilin Zhang, Jisong Hu, Ling Kang, Yusuke Yamauchi, Bin Ding, Shude Liu","doi":"10.1002/aenm.71698","DOIUrl":"https://doi.org/10.1002/aenm.71698","url":null,"abstract":"Layered MoS <jats:sub>2</jats:sub> holds great potential for supercapacitors; however, its intrinsically low electrical conductivity, sluggish electrochemical kinetics, and susceptibility to Mo dissolution severely hamper its electrochemical performance. Here, we propose a selective‐doping‐coupled heterostructure engineering strategy, in which atomic Fe preferentially incorporates into the MoS <jats:sub>2</jats:sub> domain, while the local structure of the ReS <jats:sub>2</jats:sub> component remains largely preserved, forming an Fe‐doped MoS <jats:sub>2</jats:sub> /ReS <jats:sub>2</jats:sub> (Fe‐MRS) heterostructure. Theoretical and experimental results reveal the formation of a built‐in electric field at the Fe‐MRS interface, driving electron transfer from ReS <jats:sub>2</jats:sub> to Fe‐doped MoS <jats:sub>2</jats:sub> , reconfiguring the Mo‐S electronic structure, while simultaneously strengthening Mo─S bonds and suppressing Mo dissolution. Moreover, Fe incorporation is energetically favored at octahedrally coordinated Mo sites within the MoS <jats:sub>2</jats:sub> domain, modulating the local electronic environment of the MoS <jats:sub>2</jats:sub> domain and thereby facilitating coupled electron/ion transport. Consequently, the Fe‐MRS electrode delivers high specific capacitance and excellent cycling stability with a capacitance retention of 97.0% over 5000 cycles. Moreover, asymmetric supercapacitors assembled with the Fe‐MRS anode achieve a high energy density of 55.2 Wh kg <jats:sup>−1</jats:sup> at 1000 W kg <jats:sup>−1</jats:sup> , maintaining good structural and mechanical robustness. This work offers clear guidance for leveraging selective doping to engineer heterostructures with enhanced electron‐ion coupling for advanced electrochemical energy storage systems.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"82 1 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208486","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}
Yuzhu Tian, Yifei Xu, Kang Liang, Tianqi Deng, Wei Zhao, Qinghe Wang, Yurong Ren, Hao Bin Wu
{"title":"Ligand Electronics and Metal‐Site Acidity Enable High‐Voltage MOF Electrolytes for Quasi‐Solid‐State Lithium‐Metal Batteries","authors":"Yuzhu Tian, Yifei Xu, Kang Liang, Tianqi Deng, Wei Zhao, Qinghe Wang, Yurong Ren, Hao Bin Wu","doi":"10.1002/aenm.71716","DOIUrl":"https://doi.org/10.1002/aenm.71716","url":null,"abstract":"Lithium‐metal batteries (LMBs) coupled with Ni‐rich cathodes offer high energy density for next‐generation energy storage. Their practical implementation, however, is limited by electrolyte oxidation and interfacial degradation under high voltage. Metal‐organic frameworks (MOFs) would regulate ion solvation and stabilize electrode‐electrolyte interfaces in quasi‐solid‐state electrolytes, yet the molecular origins of their oxidation stability remain unclear. Here, we identify ligand electronics and metal‐site acidity as key descriptors for high‐voltage‐stable MOF electrolytes. Electron‐withdrawing ligands lower the HOMO energy levels of MOFs, while hard Lewis‐acidic Al sites further enhance oxidation resistance. Guided by this principle, we design a perfluorinated Al‐based MOF, Al‐FBDC, featuring a high oxidation onset potential of 4.82 V (vs. Li <jats:sup>+</jats:sup> /Li). Incorporating Al‐FBDC into a composite cathode reconstructs the local electrolyte environment at particle‐level interfaces, thereby suppressing parasitic reactions and cathode degradation under high‐voltage operation. As a result, Li||Al‐FBDC@NCM quasi‐solid‐state cells deliver excellent long‐term cycling stability and rate performance, retaining 82% of the capacity after 200 cycles at 1 C over 3.0‐4.5 V, while maintaining robust performance even at 4.6 and 4.8 V cut‐off voltages and with controlled electrolyte loading. This work identifies a general design principle for high‐voltage‐stable MOF electrolytes and offers a practical route toward high‐energy‐density LMBs.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"167 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208485","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‐Energy and Long‐Life Na 3 V 2 (PO 4 ) 2 F 3 Cathodes via Multielement V‐Site Modulation of Local M–O/F Bonding","authors":"Zhichao Li, Fuqiang Li, Mushun Chen, Yanyu Sun, Shouyu Sun, Zifei Shi, Cheng Yang, Yu Liu","doi":"10.1002/aenm.71719","DOIUrl":"https://doi.org/10.1002/aenm.71719","url":null,"abstract":"Sodium‐ion batteries are promising for sustainable energy storage, but their energy density still lags behind lithium‐ion systems. Na <jats:sub>3</jats:sub> V <jats:sub>2</jats:sub> (PO <jats:sub>4</jats:sub> ) <jats:sub>2</jats:sub> F <jats:sub>3</jats:sub> (NVPF) is an attractive high‐voltage polyanionic cathode, but fluorine loss generates low‐voltage Na <jats:sub>3</jats:sub> V <jats:sub>2</jats:sub> (PO <jats:sub>4</jats:sub> ) <jats:sub>3</jats:sub> impurities that lower energy density and aggravate lattice deformation during cycling. Here, we report a multielement V‐site charge modulation strategy, realized in Na <jats:sub>3‐δ</jats:sub> V <jats:sub>1.9</jats:sub> Zr <jats:sub>0.02</jats:sub> Ti <jats:sub>0.02</jats:sub> Cr <jats:sub>0.02</jats:sub> Fe <jats:sub>0.02</jats:sub> Al <jats:sub>0.02</jats:sub> (PO <jats:sub>4</jats:sub> ) <jats:sub>2</jats:sub> F <jats:sub>3</jats:sub> (ME‐NVPF). The deliberate combination of high‐valence Zr <jats:sup>4+</jats:sup> , Ti <jats:sup>4+</jats:sup> , and same‐valence Cr <jats:sup>3+</jats:sup> , Fe <jats:sup>3+</jats:sup> , Al <jats:sup>3+</jats:sup> cations creates a heterogeneous M–O/F bonding network with multi‐directional electrostatic interactions enhancing lattice‐F retention that completely eliminates NVP impurities, lowers the Na <jats:sup>+</jats:sup> migration barrier, and reduces unit‐cell volume variation to merely 2.87%. Consequently, ME‐NVPF delivers a record‐high energy density of 477 Wh kg <jats:sup>−1</jats:sup> , sustains 11 000 cycles, operates across −40 to 80°C, and is further validated in 600 mAh‐level pouch cells. This work establishes multielement compositional regulation as an effective strategy for designing high‐energy, long‐life, and all‐temperature polyanionic cathodes.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"10 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208483","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":"Engineering Advanced Electrocatalysts for Energy‐Saving Zinc−Air Hybrid Batteries: Concurrent Energy Storage Coupled With Chemical Upgrading","authors":"Xian‐Wei Lv, Tao Meng, Mengyue Zhang, Xiaodong Meng, Zhongli Wang, Xuhuan Yan, Zhong‐Yong Yuan, Jianxin Geng","doi":"10.1002/aenm.71713","DOIUrl":"https://doi.org/10.1002/aenm.71713","url":null,"abstract":"Additive‐assisted zinc−air hybrid batteries (ZAHBs) that couple favorable additive oxidation with oxygen reduction represent ideal energy storage candidates, distinguished by high theoretical energy density, reduced charging voltage, and functionality for electrochemical upgrading of organics or wastewater. Herein, a critical overview of ZAHBs is provided, commencing with the fundamental electrochemistry (including advantages, working mechanisms, cell configurations, and evaluation parameters) and the selection criteria for small‐molecule additives (including theoretical potential, solubility, stability, toxicity, and volatility). We then summarize recent progress in three categories of ZAHBs (i.e., wastewater‐purified, value‐added, and redox‐mediated), discussing alternative anodic oxidation reactions (e.g., alcohol, urea, hydrazine, and iodine oxidation) coupled with cathodic oxygen reduction, along with the underlying catalytic mechanisms. Particular emphasis is placed on catalyst design strategies spanning electronic (ligand engineering, heteroatom doping, electron delocalization, orbital hybridization, and built‐in electric field), geometric (defect engineering, curvature engineering, and nano‐confinement effect), and interfacial (high‐energy interface, heterostructure, interfacial microenvironment, and core–shell structure) modulations. Finally, we discuss the remaining challenges and future perspectives for advancing ZAHBs. This review offers valuable guidance for the rational design and practical deployment of next‐generation energy devices.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"14 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208488","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":"Synergy Between Controllable Sulfur Defect and NiS Cocatalyst Enabling Efficient Photoredox Coupling Catalysis","authors":"Chang‐Long Tan, Bo Shen, Xiang Lan, Ming‐Yu Qi, Zi‐Rong Tang, Yi‐Jun Xu","doi":"10.1002/aenm.71722","DOIUrl":"https://doi.org/10.1002/aenm.71722","url":null,"abstract":"Semiconductor‐based photoredox coupling of selective oxidation of vanillyl alcohol (VOL) to vanillin (VAL) with H <jats:sub>2</jats:sub> evolution provides a sustainable alternative to conventional industrial VAL synthesis processes, yet its performance is often hindered by rapid charge recombination and insufficient active sites. Herein, we report a facile one‐pot hydrothermal strategy to construct NiS‐decorated Zn <jats:sub>3</jats:sub> In <jats:sub>2</jats:sub> S <jats:sub>6</jats:sub> (ZIS) nanoflowers with controllable sulfur vacancies (V <jats:sub>S</jats:sub> ) for efficient co‐production of VAL and H <jats:sub>2</jats:sub> . Moderate concentrations of V <jats:sub>S</jats:sub> regulate the surface electronic structure and act as oxidation active sites to optimize VOL adsorption. Meanwhile, uniformly dispersed NiS cocatalysts serve as efficient electron relays and reduction active sites, accelerating charge migration and promoting H <jats:sub>2</jats:sub> generation. Benefiting from the interfacial synergy between V <jats:sub>S</jats:sub> and NiS, the optimal 1%NiS‐ZIS‐V <jats:sub>S2</jats:sub> catalyst delivers an 18‐fold enhancement in both VAL and H <jats:sub>2</jats:sub> production rates relative to pristine ZIS, together with excellent stability and broad substrate versatility. This work highlights the critical role of defect‐cocatalyst synergy in designing advanced cooperative photoredox catalysts for sustainable chemical synthesis.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"46 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208491","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}
Alexandre Holmes, Qiaonan Chen, Rafael Bicudo Ribeiro, Leandro R. Franco, Soumi Roy, Linnea Lind, Xiaoman Bi, Mateus Bergami, Mathis Mortensen Brette, Lunjie Zeng, Eva Olsson, Bo Albinsson, Márcio T. do N. Varella, C. Moyses Araujo, Ergang Wang
{"title":"Covalently Locked Donor–Acceptor Block Copolymer Nanoparticles Enable Efficient, Stable and Reproducible Photocatalytic Hydrogen Evolution","authors":"Alexandre Holmes, Qiaonan Chen, Rafael Bicudo Ribeiro, Leandro R. Franco, Soumi Roy, Linnea Lind, Xiaoman Bi, Mateus Bergami, Mathis Mortensen Brette, Lunjie Zeng, Eva Olsson, Bo Albinsson, Márcio T. do N. Varella, C. Moyses Araujo, Ergang Wang","doi":"10.1002/aenm.71708","DOIUrl":"https://doi.org/10.1002/aenm.71708","url":null,"abstract":"Organic photocatalysts with tailored properties and unique processability offer a sustainable route to solar hydrogen. To maximize light harvesting and charge generation, donor and acceptor materials are usually physically mixed to form D:A heterojunction nanoparticles (NPs). However, weakly constrained interactions can promote phase segregation, morphological evolution, and limited reproducibility. Here, we introduce an all‐conjugated donor–acceptor block copolymer, PBDB‐T‐ <jats:italic>b</jats:italic> ‐PYT, in which covalent linkage between PBDB‐T and PYT segments constrains nanoscale donor–acceptor organization and promotes intramolecular charge transfer. Compared with nanoparticles prepared from a physical PBDB‐T:PYT blend, PBDB‐T‐ <jats:italic>b</jats:italic> ‐PYT nanoparticles exhibit stronger photoluminescence quenching, more persistent charge‐associated transient absorption features, and improved photoelectrochemical charge extraction. As a result, hydrogen evolution reaction (HER) rates exceeding 120 mmol cm <jats:sup>−2</jats:sup> g <jats:sup>−1</jats:sup> h <jats:sup>−1</jats:sup> (>450 µmol h <jats:sup>−1</jats:sup> ) are achieved with low Pt loading (<3 wt.%). PBDB‐T‐ <jats:italic>b</jats:italic> ‐PYT NPs retained 95% of the initial HER rate after 96 h of photocatalysis. Conversely, NPs prepared from physically mixed PBDB‐T and PYT show lower activity and faster deactivation, consistent with morphology‐driven losses. PBDB‐T‐ <jats:italic>b</jats:italic> ‐PYT also maintains high performance across polymer batches, improving reproducibility. These results establish all‐conjugated donor–acceptor block copolymers as a promising design strategy for combining high activity, operational stability, and reproducibility in organic nanoparticle photocatalysis.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"30 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208484","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}
Qianqian Liu, Chaojie Wang, Zeyi Zhang, Ming Xiao, Xiaokai Hao, Kunzhe Wang, Liguang Wang
{"title":"Machine Learning in Liquid Electrolyte Design for Rechargeable Batteries: Addressing Fundamental Challenges","authors":"Qianqian Liu, Chaojie Wang, Zeyi Zhang, Ming Xiao, Xiaokai Hao, Kunzhe Wang, Liguang Wang","doi":"10.1002/aenm.71714","DOIUrl":"https://doi.org/10.1002/aenm.71714","url":null,"abstract":"Designing high‐performance liquid electrolytes for rechargeable batteries requires simultaneously achieving fast ionic transport, a wide electrochemical window, and interphase stability, yet these objectives are intrinsically coupled and often involve competing trade‐offs. Electrolyte optimization remains a formidable challenge for conventional trial‐and‐error approaches. Recent advances in machine learning (ML) are transforming electrolyte research into a data‐driven and increasingly autonomous paradigm for accelerated materials discovery. This review provides a comprehensive perspective on how ML methodologies are tailored to address the fundamental challenges of liquid electrolyte design. We first introduce the physicochemical foundations of liquid electrolytes alongside key ML workflows, emphasizing dataset construction and feature representation tailored to electrolyte chemistry. We then examine ML strategies for predicting and optimizing ionic transport, electrochemical window, interphase regulation, and multi‐objective optimization, highlighting representative advances and practical design principles for rational electrolyte development. Finally, we discuss current challenges, including data quality, model generalizability, and interpretability, as well as future opportunities for developing mechanism‐informed and transferable ML frameworks. By bridging machine learning with electrolyte science, this review aims to facilitate the rational design of next‐generation liquid electrolytes and accelerate the development of high‐performance rechargeable batteries.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"11 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149208489","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":"Disrupting Solvent Self‐Association via Dipole–Dipole Interactions for Improved Performance of Perovskite Solar Cell","authors":"Yuqi Du, Wenxiang Xiang, Jiahui Li, Shanwen Wang, Jing Chen, Zhaokui Wang, Geping Qu, Zong‐Xiang Xu, Xiangqian Shen, Liyuan Han, Yanbo Wang","doi":"10.1002/aenm.71715","DOIUrl":"https://doi.org/10.1002/aenm.71715","url":null,"abstract":"High‐quality perovskite films demand strongly coordinating solvents (SCS, e.g., DMSO, NMP) for crystal growth regulation, yet such solvents often leave residue and induce notorious voids. Prior work elucidated the voids distribution along the vertical direction but cannot explain their lateral dimensions and spatial patterning. Here, we find that the hundreds‐of‐nanometer lateral dimension and clustered morphology of buried voids originate from the self‐association of SCS. The tailored‐made 1‐bromo‐4‐dimethylphosphoryl‐benzene (BPPO) with inherently weak intermolecular interaction is introduced, which mainly exists in a monomeric form and can efficiently modify the buried interface by constructing dipole‐dipole interactions with SCS. The self‐association is disrupted, enabling uniform SCS distribution rather than forming big cluster, which accelerates the escape and ultimately eliminates voids at the buried interface. Perovskite solar cells (PSCs) based on BPPO show an efficiency increase from 25.2% to 27.2% (certified efficiency of 27.0%, aperture area of 0.0712 cm <jats:sup>2</jats:sup> ), with improved stability under ISOS‐D‐2 and ISOS‐L‐2 protocols. Furthermore, the BPPO‐modified perovskite solar module (PSMs, aperture area of 17.4 cm <jats:sup>2</jats:sup> ) achieved an efficiency of 24.2%, demonstrating its excellent scalability.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"30 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149198902","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":"Selective Interfacial Coupling in Polymer Electrolytes Stabilizes High‐Voltage Ni‐Rich Cathodes for > 500 Wh Kg −1 Lithium Metal Batteries","authors":"Zixuan Wang, Zunbin Mao, Lu Wei, Zhuo Li, Xin Guo","doi":"10.1002/aenm.71712","DOIUrl":"https://doi.org/10.1002/aenm.71712","url":null,"abstract":"The interfacial chemistry of high‐energy‐density lithium metal batteries (LMBs) is strongly governed by electronic coupling between electrolyte components and cathode surfaces. However, current strategies generally regulate coupling as an overall interaction‐strength issue, overlooking the distinct contributions of individual electrolyte species and thereby limiting precise interfacial control. Here, we propose a selective interfacial coupling strategy by constructing an interfacial architecture comprising a coupling center and a weak‐coupling environment. Specifically, 2‐cyanoethyl acrylate (CA) acts as the coupling center, while a highly fluorinated acrylate (DFA) creates the weak‐coupling environment. Their synergy reconstructs the interfacial molecular organization, suppresses undesirable coupling from non‐target species, and preserves favorable CA‐cathode interactions. Multiscale calculations and operando spectroscopy reveal the reconstructed interfacial structure and its dynamic evolution. The resulting enlarged Ni 3d‐O 2p band‐center separation stabilizes the TM‐O electronic structure, suppressing lattice oxygen release, cation mixing, and transition‐metal dissolution. Consequently, Li||Ni90 cells retain 78% capacity after 400 cycles at 4.7 V, while a 5 Ah pouch cell delivers 529.4 Wh kg <jats:sup>−1</jats:sup> at 4.6 V. This work establishes selective interfacial coupling as an effective strategy for regulating high‐voltage interfaces.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"33 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149198923","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}
Hongshen Xie, Hanguang Fu, Tianchi Zhang, Yehui Wen, Wenbin Han, Biao Li, Xuegong Yu, Deren Yang, Yong Wang
{"title":"Coupling Interfacial Defect Regulation With Lattice Relaxation in FACsPbI 3 Perovskite","authors":"Hongshen Xie, Hanguang Fu, Tianchi Zhang, Yehui Wen, Wenbin Han, Biao Li, Xuegong Yu, Deren Yang, Yong Wang","doi":"10.1002/aenm.71704","DOIUrl":"https://doi.org/10.1002/aenm.71704","url":null,"abstract":"FACsPbI <jats:sub>3</jats:sub> perovskites, free of volatile methylammonium and mixed halides, are among promising absorbers for efficient optoelectronics owing to their favourable bandgap and intrinsic stability. However, the structurally soft lattice makes their surfaces prone to distortion and defect generation, creating a heterogeneous interfacial energy landscape that promotes non‐radiative recombination and ion migration. Here, we report an interfacial regulation strategy that stabilizes the surface/interface configuration of FACsPbI <jats:sub>3</jats:sub> through a defect‐lattice coupling mechanism. Introducing morpholinium chloride at the FACsPbI <jats:sub>3</jats:sub> interface/surface enables coordination with undercoordinated lattice sites, thereby relieving local lattice strain, stabilizing surface Pb‐I octahedral network, and reducing the density of defect states. This coupling between interfacial chemistry and lattice energetics increases vacancy formation energies, homogenizes the interfacial electronic environment, and suppresses defect‐assisted recombination and ion migration. The resulting perovskite solar cells yield an efficiency of 26.67% with a 16.1 cm <jats:sup>2</jats:sup> ‐aperture mini‐module reaching an efficiency of 22.79%. Moreover, the devices exhibit enhanced stability, retaining 95.8% of their initial efficiency after 1000 h of continuous operation. This work reveals a defect‐lattice coupling paradigm that links interfacial chemistry, lattice energetics, and ion migration kinetics, offering a general route toward stable and high‐efficiency soft ionic semiconductors.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"21 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149198924","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}