Jie Xu, Chen Wang, Mengfei Su, Chunyan Zhang, Feng Gao, Xiaofei Zhang, Qingyi Lu
{"title":"Solvent Dynamics‐Limiting Effect Facilitates the Construction of Homoatomic Heterophase Fcc/Hcp‐Ru Interface for pH‐Universal Hydrogen Evolution Reaction","authors":"Jie Xu, Chen Wang, Mengfei Su, Chunyan Zhang, Feng Gao, Xiaofei Zhang, Qingyi Lu","doi":"10.1002/adfm.202515147","DOIUrl":"https://doi.org/10.1002/adfm.202515147","url":null,"abstract":"Constructing homoatomic heterophase interfaces (e.g., fcc/hcp‐Ru) enhances catalytic performance by reducing interfacial potential barriers and enabling efficient charge transfer through uniform composition and near‐perfect lattice matching. However, synthesizing metastable noble metals like Ru remains challenging due to strong metallic bonding. Herein, a solvent dynamics‐limiting effect is proposed to regulate the dynamics of nucleation and growth processes to achieve the precise synthesis of metastable metal fcc‐Ru. Furthermore, on the basis of the solvent dynamics‐limiting effect, the construction of metastable/stable homoatomic fcc/hcp‐Ru heterophase interface is successfully realized through a dynamic slow phase transformation strategy. The experimental result shows that the generation of homoatomic heterophase interfaces combines the superiority of different crystal phases and enhances intrinsic activity and stability, thus promoting efficient HER performance in a wide pH range. Specifically, overpotentials as low as 17.1/22.9/22.6 mV are required to achieve 10 mA cm<jats:sup>−2</jats:sup> current density in alkaline/neutral/acidic conditions with significantly improving stability. Theoretical calculations demonstrate that the construction of homoatomic heterophase interfaces reduces the dissociation energy of water, optimizes the catalyst's adsorption capacity for hydrogen, thereby promoting an efficient HER pathway. Moreover, the proposed method has potential applications for other metals and oxides, offering new insights for crystal phase engineering.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"72 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622262","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}
Shivam Shivam, Mudassar Javed, Georg Brösigke, Jens‐Uwe Repke, Lukas Thum, Roel van de Krol, Iver Lauermann, Rutger Schlatmann, Albert Gili, Daniel Amkreutz
{"title":"Structured Multilayer Thin Films for Catalytic Applications: A Novel Approach on Catalyst Design Utilizing Microfabrication Techniques","authors":"Shivam Shivam, Mudassar Javed, Georg Brösigke, Jens‐Uwe Repke, Lukas Thum, Roel van de Krol, Iver Lauermann, Rutger Schlatmann, Albert Gili, Daniel Amkreutz","doi":"10.1002/adfm.202514003","DOIUrl":"https://doi.org/10.1002/adfm.202514003","url":null,"abstract":"The metal/metal oxide interface is key to establishing catalytic performance, selectivity, and stability in heterogeneous systems. In this proof‐of‐concept study, a systematic methodology is introduced for the preparation of multilayer catalysts that combines Radio Frequency (RF) magnetron sputtering with laser microstructuring for the synthesis of high‐density Cu/ZnO interfaces. By means of a specifically designed split target, alternating few‐nanometer‐thick layers of Cu and ZnO are deposited under precise control and with high reproducibility. Laser scribing is then employed to create defined microstructures that reveal buried interfaces, improving access to catalytically active interfaces. As‐deposited and laser‐scribed multilayer's structural and chemical stability is confirmed through Atomic Force Microscopy (AFM), X‐Ray Fluorescence (XRF), X‐Ray Diffraction (XRD), X‐Ray Photoelectron Spectroscopy (XPS), and Scanning Electron Microscope (SEM) characterizations. Catalytic activity is evaluated under gradient‐free, continuous‐stirring conditions for CO<jats:sub>2</jats:sub> hydrogenation to methanol where the catalyst produces methanol and CO under laboratory‐scale conditions. The strategy addresses specific design bottlenecks such as limited control over interfacial geometry and exposure while acknowledging the inherent limitations of thin‐film systems in terms of surface area and scalability. While demonstrated for CO<jats:sub>2</jats:sub>‐to‐methanol conversion, the method is generally applicable to other interface‐dependent reactions. Building on this initial demonstration, forthcoming efforts will focus on detailed mechanistic analysis, long‐duration testing, and performance benchmarking against conventional powder‐based catalysts.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"9 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622273","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":"Janus Adsorption of Polar Ion Hubs for Simultaneous Regulation of Zinc Deposition Kinetics and Interfacial Stability in Long‐Cycle Aqueous Zinc‐Ion Batteries","authors":"Chang Dong, Haojie Ji, Tao Yang, Hongbo Wu, Chao Liu, Xuedong Xie, Ouwei Sheng, Dexin Yang, Tianyu Shen, Zeyang Sun, Jian Zhang, Rongkun Zheng, Chaofeng Zhang, Xuefeng Zhang","doi":"10.1002/adfm.202513529","DOIUrl":"https://doi.org/10.1002/adfm.202513529","url":null,"abstract":"Aqueous zinc‐ion batteries (AZIBs) have garnered significant attention as potential candidates for next‐generation energy storage systems, attributed to their high capacity, cost‐effectiveness, and environmentally benign nature. However, the uncontrolled proliferation of zinc dendrites and severe interfacial side reactions have emerged as substantial obstacles to their practical application. In this study, a novel “polar ionic hub regulation” strategy is introduced, which involves the covalent bonding of hydrophilic‐hydrophobic bifunctional groups to construct an asymmetric topological structure, thereby forming a nanoscale Janus interface at the molecular level. The carboxyl and amide groups synergistically anchor Zn<jats:sup>2+</jats:sup> ions through spatial cooperation, creating localized Zn<jats:sup>2+</jats:sup>‐rich domains. Meanwhile, the benzene ring repels free water molecules via its hydrophobic effect, effectively blocking the interfacial side reactions initiated by water molecules. Consequently, the zinc anode achieves an ultralong cycling lifespan exceeding 3600 h at 1 mA cm<jats:sup>−2</jats:sup> and 1 mAh cm<jats:sup>−2</jats:sup>. Moreover, the zinc symmetric cell attains a cumulative plating capacity of 4.875 Ah cm<jats:sup>−2</jats:sup> at a high areal capacity of 5 mAh cm<jats:sup>−2</jats:sup>. Full cells paired with Na<jats:sub>2</jats:sub>V<jats:sub>6</jats:sub>O<jats:sub>16</jats:sub>·3H<jats:sub>2</jats:sub>O and I<jats:sub>2</jats:sub> cathodes exhibit significantly enhanced performance. Notably, the Zn||I<jats:sub>2</jats:sub> system demonstrates exceptional cycling durability. This work provides a robust foundation for the practical application of high‐performance aqueous zinc‐ion batteries.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"14 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622292","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":"Optimization of CO2 Mass Transfer and Modulation of Reaction Kinetics for Efficient CO2 Conversion via a Three‐Phase Photocatalytic Flow System","authors":"Hui Fu, Yuli Lei, Qianqian Zhang, Yuanyuan Liu, Zhaoke Zheng, Hefeng Cheng, Baibiao Huang, Haibo Ma, Peng Wang","doi":"10.1002/adfm.202515361","DOIUrl":"https://doi.org/10.1002/adfm.202515361","url":null,"abstract":"The design of a photocatalytic system with conducive CO<jats:sub>2</jats:sub> mass transfer, reaction kinetics, and product venting is crucial for achieving stable and efficient photocatalytic CO<jats:sub>2</jats:sub> reduction reaction (CO<jats:sub>2</jats:sub>RR). Herein, a three‐phase photocatalytic flow system is developed to optimize the CO<jats:sub>2</jats:sub> mass transfer and modulate the reaction kinetics, and prepare single‐atom‐based photocatalyst to boost the performance of CO<jats:sub>2</jats:sub>RR. Kinetic calculations present that the flow system optimizes the first‐order reaction of the conventional non‐flow system to zero‐order reaction, which facilitates the efficient and long‐lasting photocatalytic CO<jats:sub>2</jats:sub>RR. Ab initio quantum chemical simulations of both the ground and excited states reveal that the enhanced performance stems from charge transfer photoexcitation associated with the doped single Co atom, which facilitates proton adsorption, reduces the energy barrier, and promotes C–OH bond cleavage. Taking advantage of the three‐phase flow system and single‐atom catalyst, the CO generation rate increases to 2.35 µmol h<jats:sup>−1</jats:sup> with a selectivity of 97.8%. This work opens a new avenue for the rational design of high‐efficiency CO<jats:sub>2</jats:sub> conversion systems and holds promise for other photocatalytic applications.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"11 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622269","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}
Ying Shen, Hui Shang, Xiaoxia Le, Yue Wu, Yu Sun, Partick Théato, Tao Chen
{"title":"Spatiotemporal Regulation Enabling Photo‐Dimerizable Gel Networks Toward Multi‐Channel Information Encryption","authors":"Ying Shen, Hui Shang, Xiaoxia Le, Yue Wu, Yu Sun, Partick Théato, Tao Chen","doi":"10.1002/adfm.202513532","DOIUrl":"https://doi.org/10.1002/adfm.202513532","url":null,"abstract":"Multi‐channel information encryption is of great significance for the improvement of information capacity and the enhancement of information security. However, it is still limited to complex molecular design, material preparation and information coding processes. Herein, a novel polymer gel with fluorescence and structural color is constructed to output multi‐channel information display by regionally regulating the dimerization of anthracene units. In this system, the functional monomer anthracen‐9‐yl acrylate (9‐ANA) is co‐polymerized in a polymer network of poly (ethylene glycol) phenyl ether acrylate (PEGPEA), which is filled with assembled silica colloidal particles. By regulating UV irradiation time, the dimerization of anthracene can adjust the fluorescence of anthracene and increase the cross‐linking density of the polymer matrix. As a result, patterns that are loaded with the aid of photomasks can output different information under various stimuli such as UV irradiation, uniaxial tension, and solvent stimulation to achieve multi‐channel information decryption. This work provides new ideas for the design of new encryption‐decryption materials.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"38 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622264","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}
Wei Cao, Waqar Ahmad, Maolin Yang, Yuhui Weng, Xiang Ji, Keli Yang, Jinqi Li, Wenhai Ji, Ping Miao, Feng Lin, Ming Zhang, Kejun Zhang, Jingchao Jiang, Ziwei Chen, Chengdu Liang, Jun Chen
{"title":"Oxygen Vacancy‐Driven Lattice Modulation in Zn2P2O7: A Novel Anode Enabling Accelerated Kinetics and Long Cycling Stability for Sodium‐Ion Batteries","authors":"Wei Cao, Waqar Ahmad, Maolin Yang, Yuhui Weng, Xiang Ji, Keli Yang, Jinqi Li, Wenhai Ji, Ping Miao, Feng Lin, Ming Zhang, Kejun Zhang, Jingchao Jiang, Ziwei Chen, Chengdu Liang, Jun Chen","doi":"10.1002/adfm.202509841","DOIUrl":"https://doi.org/10.1002/adfm.202509841","url":null,"abstract":"Lattice defect‐induced tuning of the chemical bonding environment is a promising strategy to enhance the performance of electrode materials. The deliberate introduction of oxygen vacancies (OVs) has demonstrated remarkable efficacy in boosting electronic conductivity and ion diffusion kinetics, while the resultant chemical bond engineering optimizes the bonding environment, thereby enhancing structural stability and electrochemical reversibility. This study pioneers a dual‐modification strategy involving OVs ‐induced C‐P bonds formation in the Zn<jats:sub>2</jats:sub>P<jats:sub>2</jats:sub>O<jats:sub>7</jats:sub> structure. Through systematic electrochemical characterization complemented by density functional theory (DFT) calculations, the synergistic mechanism between OVs‐mediated electron structure modulation and C‐P bonds reinforcement is elucidated. As a novel anode material for sodium‐ion batteries, the engineered Zn<jats:sub>2</jats:sub>P<jats:sub>2</jats:sub>O<jats:sub>7−x</jats:sub>@C composite exhibits substantially enhanced rate capability (316.6 mAh g<jats:sup>−1</jats:sup> at 0.05 A g<jats:sup>−1</jats:sup>) and cycling stability (171.3 mAh g <jats:sup>−1</jats:sup> after 1000 cycles at 1 A g <jats:sup>−1</jats:sup>), in stark contrast to the rapid performance degradation observed in pristine Zn<jats:sub>2</jats:sub>P<jats:sub>2</jats:sub>O<jats:sub>7</jats:sub>. Furthermore, the extension of this strategy to lithium‐ion battery systems further validates the universal effectiveness of this defect/chemical bonding synergy strategy in improving alkali metal ions storage, demonstrating its broad applicability across various energy storage platforms.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"1978 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622271","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":"Biomass‐Derived Bilayer Aerogels for Continuous All‐Day Atmospheric Water Harvesting: Synergistic Adsorption‐Desorption and Antimicrobial Applications","authors":"Zhenying Duan, Panpan Feng, Meichun Ding, Chen‐Yang Liu, Chenwei Li, Jun Zhang","doi":"10.1002/adfm.202511143","DOIUrl":"https://doi.org/10.1002/adfm.202511143","url":null,"abstract":"Sorption‐based atmospheric water harvesting (SAWH) provides a sustainable approach to addressing global freshwater scarcity, with significant potential for freshwater production and renewable energy utilization. However, most SAWH systems rely on hygroscopic salts, which suffer from salt leakage and agglomeration. Moreover, conventional SAWH devices operate intermittently, leading to complex processes and low energy‐time efficiency. Herein, a salt‐free, biomass‐derived bilayer aerogel, composed of chitosan, sodium alginate, and carboxymethyl cellulose, enabling continuous all‐day SAWH is presented via simultaneous adsorption‐desorption. The superhydrophilic, hierarchically porous structure with interconnected channels and a top photothermal layer achieves a high water adsorption capability of 3.97 g g<jats:sup>−1</jats:sup> at relative humidity of 90% and a rapid desorption rate of 3.33 kg m<jats:sup>−2</jats:sup> h<jats:sup>−1</jats:sup> under one‐sun illumination. The feasibility of a simple prototype is demonstrated for automated and continuous SAWH under natural conditions, achieving a high water production of 3234 mL<jats:sub>water</jats:sub> kg<jats:sub>sorbent</jats:sub><jats:sup>−1</jats:sup> day<jats:sup>−1</jats:sup> over 1 week, and outperforming previously reported SAWH systems. Moreover, the bilayer aerogel's intrinsic antibacterial properties ensure the microbial safety of the harvested water, addressing a key challenge in practical SAWH applications. This maintenance‐free design simplifies operation and provides a sustainable, off‐grid solution for freshwater production in arid and remote regions, advancing UN Sustainable Development Goal 6.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"9 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622288","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}
Yun Zheng, Na Yang, Song Duan, Zhenghao Li, Rui Gao, Yanfei Zhu, Hongyao Wang, Tianzhu Zhang, Gaoran Li, Dan Luo, Leixin Yang, Dongniu Wang, Wei Yan, Jiujun Zhang, Zhongwei Chen
{"title":"Dual‐Enhanced Charge Transfer through Prelithiation Strategy in Polymer Electrolyte Enables Robust LiF‐Rich SEI for Ultralong‐Life All‐Solid‐State Batteries","authors":"Yun Zheng, Na Yang, Song Duan, Zhenghao Li, Rui Gao, Yanfei Zhu, Hongyao Wang, Tianzhu Zhang, Gaoran Li, Dan Luo, Leixin Yang, Dongniu Wang, Wei Yan, Jiujun Zhang, Zhongwei Chen","doi":"10.1002/adfm.202511011","DOIUrl":"https://doi.org/10.1002/adfm.202511011","url":null,"abstract":"Lithium fluoride (LiF)‐rich solid electrolyte interface (SEI) is critical for enabling the stable operation of polymer‐based all‐solid‐state lithium‐metal batteries (ASSLMBs). Precisely controlling the C─F dissociation chemistry in fluorine‐containing lithium salts to construct a LiF‐rich SEI is a logically viable but still challenging approach. Current strategies for constructing LiF‐rich SEI primarily focus on designing non‐metal polar groups and related structures. In contrast, approaches leveraging metal‐based electron donors to facilitate charge transfer for C─F bond cleavage and LiF formation remain largely unexplored. Herein, a dual‐enhanced charge transfer mechanism through prelithiation strategy is proposed in solid polymer electrolyte (SPE) for C─F bond cleavage. The charge transfer occurs between LiTFSI and the introduced metal sites and further enhanced by lithiation design, thereby achieving a robust LiF‐rich SEI. The achieving SPEs enable an excellent cyclability of Li|Li cell over 3800 h at 0.3 mA cm<jats:sup>−2</jats:sup>. Li||LiFePO<jats:sub>4</jats:sub> ASSLMBs demonstrate a high Coulombic efficiency of ≈100% and a stability of 1200 cycles with capacity retention of 80% at 2C. The corresponding pouch cell delivers a high average areal capacity of 2.41 mAh cm<jats:sup>−2</jats:sup> over 1600 h. This work offers a novel approach for constructing LiF‐rich SEI toward durable ASSLMBs.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"7 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622289","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 Vacancy and Amorphization Engineering in BiOCl Heterostructures Enable Ultrafast Potassium‐Ion Storage","authors":"Fanglan Mo, Zhiwang Liu, Hongyan Li","doi":"10.1002/adfm.202513591","DOIUrl":"https://doi.org/10.1002/adfm.202513591","url":null,"abstract":"Slow diffusion kinetics and structural stability have hindered the development of anode materials employed in potassium ion batteries. In this work, the oxygen vacancy (O<jats:sub>V</jats:sub>) concentration in BiOCl is modulated by varying the solvothermal time to improve the anode material properties. Specifically, O<jats:sub>V</jats:sub>‐rich BiOCl synthesized with a reaction time of 10 hours (BiOCl‐10 h) exhibit expanded interlayer spacing and the presence of amorphous regions. These structural features synergistically improve both electron/ion transport kinetics and electrode stability. Ex situ transmission electron microscopy and in situ X‐ray diffraction reveal a dual reaction mechanism: an irreversible conversion of BiOCl to Bi, followed by a reversible Bi‐K alloying process. This unique structural configuration effectively disperses the K insertion‐induced stresses and promotes the formation of Bi intermediates for sustained alloying reactions, achieving a high initial Coulombic efficiency (78.2%). Remarkably, BiOCl‐10 h delivers 285.2 mAh g<jats:sup>−1</jats:sup> at 50 A g<jats:sup>−1</jats:sup> while maintaining 82.5% versus 1 A g<jats:sup>−1</jats:sup>, exhibiting notable high‐rate behavior compared to recently reported works. Long‐term cycle at 20 A g<jats:sup>−1</jats:sup> retains 205 mAh g<jats:sup>−1</jats:sup> after 1500 cycles, highlighting structural robustness. Practical application is demonstrated through a fully battery‐powered LED screen and continuous light emission from light strips. This research provides novel concepts for the study of layered anode materials.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"23 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622290","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":"Accelerated Multi‐Property Screening of Lead‐Free Halide Double Perovskite via Transfer Learning","authors":"Yiwei Wei, Jingjin He, Chao Yang, Wei Yu, Jing Feng, Xing‐Jun Liu, Xiaoyu Chong","doi":"10.1002/adfm.202514377","DOIUrl":"https://doi.org/10.1002/adfm.202514377","url":null,"abstract":"As a promising third‐generation photovoltaic technology, perovskite solar cells have attracted much attention due to their high photoelectric conversion efficiency and low manufacturing cost. However, perovskite solar cells still face problems such as poor stability and lead toxicity, and it is both time‐consuming and expensive to find new materials with properties that meet the demand through traditional trial‐and‐error methods. To address this problem, a multi‐property screening method is proposed for lead‐free halide double perovskite based on a transfer learning technique. First, a source domain model with the formation energy of halide double perovskites as the target property is established, and high‐precision predictive models of <jats:italic>E<jats:sub>hull</jats:sub></jats:italic>, band gap, bulk modulus, and shear modulus are constructed by the transfer learning technique. In particular, the “continuous transfer” method is proposed. The bulk modulus model, after transfer learning, is used as the source domain model to transfer the shear modulus model again. Finally, the high‐throughput screening of multi‐properties of halide double perovskites are successfully realized, and computationally verified that the Cs<jats:sub>2</jats:sub>CuIrF<jats:sub>6</jats:sub> material has good stability, a suitable bandgap (1.06 eV), and ductility (<jats:italic>G/B</jats:italic> = 0.27). This proposed transfer learning strategy provides an effective method for screening stable perovskite materials with potential for multiple optoelectronic applications.","PeriodicalId":112,"journal":{"name":"Advanced Functional Materials","volume":"14 1","pages":""},"PeriodicalIF":19.0,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144622266","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}