Science China Materials最新文献

{"title":"U6+-activated narrow-band green phosphor for super-wide color gamut backlighting","authors":"Kaixiang Zhang \u0000 (,&nbsp;),&nbsp;Xinyu Zhang \u0000 (,&nbsp;),&nbsp;Lin Huang \u0000 (,&nbsp;),&nbsp;Shuxing Li \u0000 (,&nbsp;),&nbsp;Rong-Jun Xie \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3517-3","DOIUrl":"10.1007/s40843-025-3517-3","url":null,"abstract":"<div><p>Liquid crystal display (LCD) technology faces challenges in achieving a wide color gamut due to the limitations of conventional green phosphors, such as their low color purity and complex synthesis processes. This study reports a novel narrow-band green-emitting phosphor, Li₄WO₅:U⁶⁺, which uses uranium as the luminescent center through a ligand-to-metal charge transfer (LMCT) mechanism. Under 450 nm blue excitation, the phosphor exhibits a sharp emission peak at 525 nm with a narrow full width at half maximum (FWHM) of 35 nm, achieving both high color purity and a quantum efficiency of 60%. The weak electron-phonon coupling results in spectral sharpness dominated by zero-phonon lines, while its structural robustness ensures exceptional thermal stability. When combined with a K₂SiF₆:Mn⁴⁺ red phosphor and a blue InGaN light-emitting diode (LED) chip, the fabricated white LED demonstrates an expansive color gamut of 110.2% NTSC, significantly outperforming commercial β-Sialon:Eu²⁺-based white LED devices (84.4% NTSC). These findings indicate that Li₄WO₅:U⁶⁺ is a highly promising candidate for next-generation wide-color-gamut LCD backlighting, offering superior vividness and stability for advanced display applications.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3541 - 3548"},"PeriodicalIF":7.4,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Functional antifouling hydrogel surface engineering: insight into mechanisms, interfacial regulation and marine protection","authors":"Wenxian Chen \u0000 (,&nbsp;),&nbsp;Xuemin Jia \u0000 (,&nbsp;),&nbsp;Ziqiang Liu \u0000 (,&nbsp;),&nbsp;Feng Gao \u0000 (,&nbsp;),&nbsp;Lei Wang \u0000 (,&nbsp;),&nbsp;Jiankun Hu \u0000 (,&nbsp;),&nbsp;Jianguo Lu \u0000 (,&nbsp;),&nbsp;Yang Hou \u0000 (,&nbsp;),&nbsp;Xiaoli Zhan \u0000 (,&nbsp;),&nbsp;Qinghua Zhang \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3479-9","DOIUrl":"10.1007/s40843-025-3479-9","url":null,"abstract":"<div><p>Marine biofouling, the attachment and accumulation of marine organisms on submerged anthropogenic structures, significantly impacts marine engineering, the shipping industry, and marine ecosystems. Traditional antifouling methods often face limitations due to operational complexity, high costs, and potential environmental hazards. Hydrogel coatings have attracted considerable interest in marine antifouling research because of their biocompatibility, low toxicity, and environmentally friendly characteristics. This review synthesizes the application of hydrogel coatings in marine antifouling, systematically analyzing the molecular design and network structure regulation of hydrogel materials achieved through various crosslinking strategies, and elucidating their antifouling mechanisms. The review summarizes the antifouling effects of existing hydrogel coatings, examining their performance in inhibiting biological fouling in laboratory and field environments. Furthermore, the review explores the application of composite materials and multifunctional hydrogel coatings to improve overall performance and discusses their developmental potential. Furthermore, the review analyzes the current limitations of hydrogel antifouling coatings and proposes future research directions, intending to offer theoretical insights for the development of effective and environmentally responsible marine antifouling solutions.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3456 - 3484"},"PeriodicalIF":7.4,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fast kinetics of graphite anodes through interface and bulk engineering: a review","authors":"Xiangqi Liu \u0000 (,&nbsp;),&nbsp;Qitao Shi \u0000 (,&nbsp;),&nbsp;Chen Lu \u0000 (,&nbsp;),&nbsp;Jiaqi Wang \u0000 (,&nbsp;),&nbsp;Junjin Zhang \u0000 (,&nbsp;),&nbsp;Cheng Zhang \u0000 (,&nbsp;),&nbsp;Zhipeng Wang \u0000 (,&nbsp;),&nbsp;Luwen Li \u0000 (,&nbsp;),&nbsp;Yanbin Shen \u0000 (,&nbsp;),&nbsp;Alicja Bachmatiuk,&nbsp;Ruizhi Yang \u0000 (,&nbsp;),&nbsp;Mark H. Rümmeli","doi":"10.1007/s40843-025-3482-2","DOIUrl":"10.1007/s40843-025-3482-2","url":null,"abstract":"<div><p>Owing to their advantages such as high energy density and excellent cycle performance, lithium-ion batteries have occupied a dominant position for many years in the fields of consumer electronics, energy storage, and new energy vehicles. Graphite is the most widely commercialized anode material because of its stable layered structure, excellent electrical conductivity, and cost-effectiveness. However, its inherent limitations, notably its relatively low theoretical specific capacity (372 mAh/g) and sluggish intrinsic ion diffusion kinetics, pose significant challenges to the development of high-energy and power density battery systems. This article briefly introduces the intercalation and failure mechanisms of graphite anode materials, reviews the research progress in the bulk and surface regulation of these materials, and discusses their future development prospects.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3409 - 3424"},"PeriodicalIF":7.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced OH− conductivity and alkaline stability of AEM by pyrene stacking backbone for water electrolysis","authors":"Cui Yang \u0000 (,&nbsp;),&nbsp;Yu Huang \u0000 (,&nbsp;),&nbsp;Wanjie Song \u0000 (,&nbsp;),&nbsp;Mingyue Wu \u0000 (,&nbsp;),&nbsp;Jinyu Nie \u0000 (,&nbsp;),&nbsp;Yaoming Wang \u0000 (,&nbsp;),&nbsp;Liang Wu \u0000 (,&nbsp;),&nbsp;Xiaolin Ge \u0000 (,&nbsp;),&nbsp;Tongwen Xu \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3504-1","DOIUrl":"10.1007/s40843-025-3504-1","url":null,"abstract":"<div><p>A burgeoning hydrogen technology utilizing anion exchange membranes (AEMs) has attracted increasing interest owing to its potential for cost-effective commercial values. Nonetheless, there are still challenges pertaining to conductivity and persistent stability. Herein, an innovative approach has been introduced to enhance the alkaline resistance and conductivity of AEMs via π-π interactions. The synergistic π-stacking networks in the polymer backbone induce long-range cation aggregation through directed self-assembly, generating ionic cluster microdomains. These nanoconfined environments elevate local hydroxide concentration, leading to the increased density of accessible ion hopping sites within the localized regions. Furthermore, the electron-donating effects of pyrene effectively reduce the electrostatic potential of the β-H adjacent to quaternary ammonium cations, thus increasing the energy barrier for OH⁻ nucleophilic attack. The obtained AEMs demonstrate exceptional performance, exhibiting both high conductivity (160 mS/cm) and excellent alkaline stability (merely 0.35% conductivity degradation after 1950 h in 2 M KOH at 80 °C). These good properties enable the membrane electrode assembly (MEA) to achieve the current density of 2.58 A/cm² at 1.8 V, while maintaining stable operation for over 700 h in durability testing.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3657 - 3666"},"PeriodicalIF":7.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chloride-passivated lead sulfide thin film for high-performance extended short wavelength infrared photodiode","authors":"Shaoheng Xu \u0000 (,&nbsp;),&nbsp;Sen Li \u0000 (,&nbsp;),&nbsp;Wenyu Zhang \u0000 (,&nbsp;),&nbsp;Hao Luo \u0000 (,&nbsp;),&nbsp;Ruiming Li \u0000 (,&nbsp;),&nbsp;Qianqian Lin \u0000 (,&nbsp;),&nbsp;Haisheng Song \u0000 (,&nbsp;),&nbsp;Jiajun Luo \u0000 (,&nbsp;),&nbsp;Jiang Tang \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3512-2","DOIUrl":"10.1007/s40843-025-3512-2","url":null,"abstract":"<div><p>Liquid-phase chemically deposited lead sulfide as a narrow-bandgap semiconductor holds great potential for extended short-wavelength infrared sensing. However, lead sulfide thin films typically contain massive sulfur vacancies and oxygen impurities, which form during chemical deposition, leading to inferior device performance. Here, for the first time, we report on the <i>in-situ</i> passivation of lead sulfide polycrystalline film with chloride ions as an additive during liquid-phase chemical deposition. Due to the similar ionic radius of chloride ions to sulfur ions and their ability to coordinate with lead ions, the addition of chloride ions effectively reduces sulfur vacancy and oxygen-in-sulfur defect densities. The reduction of bulk defect densities lowered the dark current density of homojunction photodiodes made from the passivated film by more than threefold. The photodiode exhibited a high responsivity of 0.79 A/W at 2.5 µm and a fast response speed of 19.6 µs. At room temperature, the 1 mm² photodiodes exhibited a resistance-area product of 8.78 Ω cm² and a specific detectivity of 8.79 × 10⁹ Jones at 2.5 µm, among the best-reported performance of lead sulfide bulk thin film photodiode. At 80 K, the resistance-area product was 6.16 kΩ cm². This research paves a new path for high-performance extended short-wavelength infrared photodetector.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3549 - 3556"},"PeriodicalIF":7.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sn doping induced interfacial barrier height tailoring in Ga2O3 deep-ultraviolet photodetector","authors":"Lili Yang \u0000 (,&nbsp;),&nbsp;Shan Li \u0000 (,&nbsp;),&nbsp;Muzi Li \u0000 (,&nbsp;),&nbsp;Maolin Zhang \u0000 (,&nbsp;),&nbsp;Zeng Liu \u0000 (,&nbsp;),&nbsp;Zhang Zhang \u0000 (,&nbsp;),&nbsp;Weihua Tang \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3509-0","DOIUrl":"10.1007/s40843-025-3509-0","url":null,"abstract":"<div><p>The optimization of device performance through tunable elemental doping is one of the appealing aspects of semiconductors. Compared with heavy doping, light doping is more efficient and allows for the precise regulation of material properties and the tailoring of band structures. In this study, a facile plasma-enhanced chemical vapor deposition technology is employed to fabricate a series of Sn-doped Ga₂O₃ films (Sn:Ga=0–1.14 at.%). The conductivity of the films, along with the atypical Schottky-type junction behavior observed at the Ti/Sn-Ga₂O₃ interface, can be modulated by varying the concentrations of oxygen vacancy (O_II), and coordinately influence the carrier transport processes and the detection performance of the corresponding Au/Ti/Sn-Ga₂O₃/Ti/Au photodetectors. Notably, as the O_II concentration increases to 38.88%, the interfacial Schottky barrier height decreases to 0.54 eV, which facilitates electron tunneling and promotes a superior responsivity reaching 1880 mA/W. Conversely, a reduced O_II concentration of 30% reinforces the barrier height (0.70 eV), which in turn restricts the dark current (28.4 pA) while improving the detectivity to 1.44×10¹³ Jones and the photo-to-dark current ratio to 3.42×10⁴. This research highlights the importance of balancing doping concentration with performance optimization and illustrates the significant potential of interface engineering in regulating electronic transport behavior and device performance.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3728 - 3736"},"PeriodicalIF":7.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zn-doped Ga2O3 based two-terminal artificial synapses for neuromorphic computing applications","authors":"Huichen Fan \u0000 (,&nbsp;),&nbsp;Haonan Wang \u0000 (,&nbsp;),&nbsp;Wandi Chen \u0000 (,&nbsp;),&nbsp;Wenjuan Su \u0000 (,&nbsp;),&nbsp;Shuchen Weng \u0000 (,&nbsp;),&nbsp;Zhenyou Zou \u0000 (,&nbsp;),&nbsp;Lei Sun \u0000 (,&nbsp;),&nbsp;Xiongtu Zhou \u0000 (,&nbsp;),&nbsp;Chaoxing Wu \u0000 (,&nbsp;),&nbsp;Tailiang Guo \u0000 (,&nbsp;),&nbsp;Yongai Zhang \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3498-5","DOIUrl":"10.1007/s40843-025-3498-5","url":null,"abstract":"<div><p>Amorphous gallium oxide (a-Ga₂O₃) has a low carrier concentration and limited mobility, which constrains its application in neuromorphic computing. In this study, Zn-doped Ga₂O₃ (ZGO) artificial synaptic devices were fabricated under oxygen-free conditions using radio-frequency magnetron sputtering (RFMS). Compared to undoped Ga₂O₃, the ZGO device exhibited a 106-fold increase in excitatory postsynaptic current under 254 nm illumination, with the response intensity positively correlated with the optical pulse parameters. Under light pulse modulation, the devices demonstrated dynamic behavior transitioning from short-term plasticity to long-term plasticity, including paired-pulse facilitation and the learning-forgetting-relearning process. Furthermore, the electrical and optical energy consumption of synaptic events are as low as 28 fJ and 2 nJ, respectively. The mechanism analysis indicates that the persistent photoconductivity effect in the ZGO thin film is attributed to the abundant oxygen vacancies. A multi-layer perceptron simulation based on ZGO devices achieved a 90.74% accuracy in handwritten digit recognition, and maintained 76.18% accuracy even with 50% noise. Zn doping provides a new material design approach for Ga₂O₃-based neuromorphic devices, demonstrating potential for future applications in neuromorphic computing.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3767 - 3777"},"PeriodicalIF":7.4,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation","authors":"Weiping Guo \u0000 (,&nbsp;),&nbsp;Yongjia Zhang \u0000 (,&nbsp;),&nbsp;Hong-Hua Cui \u0000 (,&nbsp;),&nbsp;Xin-Xiong Li \u0000 (,&nbsp;),&nbsp;Lingyun Li \u0000 (,&nbsp;),&nbsp;Yan Yu \u0000 (,&nbsp;),&nbsp;Zhong-Zhen Luo \u0000 (,&nbsp;),&nbsp;Zhigang Zou \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3500-x","DOIUrl":"10.1007/s40843-025-3500-x","url":null,"abstract":"<div><p>In this work, cation vacancies induced the tetrahedral distortion, enhancing the second harmonic generation (SHG) response in the diamond-like (DL) structure compounds. Concretely, the high valence and electronegativity of P⁵⁺ were introduced to substitute the Ge⁴⁺ in Cd₄GeS₆, which shows a general SHG response of 1.1 × AgGaS₂ (AGS) at 2050 nm. Thus, the isomorphic defective DL Cd_3.5PS₆ was obtained with inherent Cd²⁺ vacancies, leading to an 8.5-fold increase in [CdS₄] tetrahedral distortion degree than Cd₄GeS₆. As a result, Cd_3.5PS₆ has a high SHG response of 2 × AGS at 2050 nm and a laser-induced damage threshold (LIDT) of 9.4 × AGS. Furthermore, equivalent Hg²⁺ substitution concentrates Cd²⁺ vacancies at the Cd(2) site, leading to a 2.66-fold [CdS₄] tetrahedral distortion degree than Cd_3.5PS₆. Consequently, Hg_0.5Cd₃PS₆ possesses a high SHG response of 2.73 × AGS at 2050 nm and LIDT of 5 × AGS with a birefringence of 0.076@2050 nm. The results indicate that the cation vacancies and radius scale of mixed atoms provide effective ways to design high-performance nonlinear optical crystals.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3531 - 3540"},"PeriodicalIF":7.4,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrolyte additives for extending the operational temperature range of rechargeable lithium batteries","authors":"Bingxin Zhou \u0000 (,&nbsp;),&nbsp;Zhuo Yang \u0000 (,&nbsp;),&nbsp;Quan Zhang \u0000 (,&nbsp;),&nbsp;Baizeng Fang \u0000 (,&nbsp;),&nbsp;David P. Wilkinson,&nbsp;Jiujun Zhang \u0000 (,&nbsp;),&nbsp;Zhonghao Rao \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3514-3","DOIUrl":"10.1007/s40843-025-3514-3","url":null,"abstract":"<div><p>Rechargeable lithium batteries (LBs) that can withstand extreme temperatures (high and low, HT/LT) are essential for achieving carbon neutrality. However, the operational reliability of current LBs deteriorates significantly when exposed to these conditions. Electrolyte additives characterized by a small dosage, low cost, and minimal reduction in energy density have been shown to mitigate thermal challenges effectively by regulating interfaces and enhancing ion transport. This review systematically examines the failure mechanisms of electrolytes under HT/LT conditions, including thermally driven side reactions, sluggish ion migration and the formation of an unstable solid electrolyte interphase (SEI). State-of-the-art additives are classified and their working mechanisms, functions, advantages and disadvantages are analyzed. Design principles for advanced additives are proposed, emphasizing the synergistic optimization of oxidative stability at HT and ion mobility at LT. Although these strategies are tailored to lithium-based systems, they offer transferable insights for other metal-based batteries (e.g., sodium/potassium) that struggle with temperature-dependent performance degradation.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3425 - 3455"},"PeriodicalIF":7.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lone-pair Bi dopants surpass Sb in orbital-defect synergistic regulation for enhanced radiative recombination in AgInS2","authors":"Gaoyu Liu \u0000 (,&nbsp;),&nbsp;Wenhan Zhou \u0000 (,&nbsp;),&nbsp;Yee Sin Ang,&nbsp;Shengli Zhang \u0000 (,&nbsp;),&nbsp;Haibo Zeng \u0000 (,&nbsp;)","doi":"10.1007/s40843-025-3488-3","DOIUrl":"10.1007/s40843-025-3488-3","url":null,"abstract":"<div><p>AgInS₂, a representative I–III–VI₂ chalcogenide, has garnered significant attention due to its tunable electronic structure, nontoxic nature, and air stability. However, its practical application is hindered by severe nonradiative recombination losses induced by deep-level In_Ag antisite defects, which act as carrier trapping centers. While Sb and Bi doping have been shown to suppress defect states in CuInS₂, their impact on AgInS₂ remains unexplored. This study systematically investigates Sb and Bi doping in AgInS₂ from the perspectives of electronic orbitals interactions and defect regulation. Under S-rich, In-poor, and Ag-moderate conditions, the formation energy of In_Ag defects increases, thereby reducing their concentration. Sb_In and Bi_In emerge as dominant dopant-induced defects, yet they exhibit distinct effects on carrier recombination. Sb doping introduces deep-level states at 1.08 eV below the conduction band minimum through strong Sb–S antibonding interactions, exacerbating nonradiative recombination losses while reducing the radiative recombination coefficient by three orders of magnitude to 1.36×10⁻¹⁶ cm³/s versus intrinsic AgInS₂’s 9.63×10⁻¹³ cm³/s. In contrast, Bi_In defects remain neutral across the Fermi level range, with Bi doping demonstrating superior defect tolerance that effectively suppresses deep-level states and promotes radiative recombination. This enhances the radiative recombination coefficient by one order of magnitude to 1.27×10⁻¹² cm³/s. This study offers critical insights into lone-pair electron effects in Ag-based chalcogenides, contributing to the advancement of sustainable and high-efficiency optoelectronic materials.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":773,"journal":{"name":"Science China Materials","volume":"68 10","pages":"3789 - 3796"},"PeriodicalIF":7.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145248179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}