Inorganic Chemistry Frontiers最新文献_第7页

Rational Design of Lanthanide Triboluminescence by Ligand Triplet-State Modulation and Anisotropic Crystal Fracture 用配体三态调制和各向异性晶体断裂合理设计镧系元素摩擦发光

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-12 DOI: 10.1039/d6qi01365a

Reo Ohno,Daisuke Hayauchi,Kota Chikaraishi,Haruki Takiguchi,Hitomi Ohmagari,Shogo Kawaguchi,Kenta Goto,Daiki Tauchi,Masashi Hasegawa,Miki Hasegawa

{"title":"Rational Design of Lanthanide Triboluminescence by Ligand Triplet-State Modulation and Anisotropic Crystal Fracture","authors":"Reo Ohno,Daisuke Hayauchi,Kota Chikaraishi,Haruki Takiguchi,Hitomi Ohmagari,Shogo Kawaguchi,Kenta Goto,Daiki Tauchi,Masashi Hasegawa,Miki Hasegawa","doi":"10.1039/d6qi01365a","DOIUrl":"https://doi.org/10.1039/d6qi01365a","url":null,"abstract":"Elucidating the mechanistic basis of triboluminescence (TL) in lanthanide (Ln) complexes—particularly whether mechanical stimuli excite the coordinated ligand, which subsequently sensitizes Ln³⁺ via the photo-antenna effect—remains a central challenge in the field. To address this, we synthesized novel chiral lanthanide complexes, LnLvalphen (Ln = Eu, Tb and Gd), in which the 2,2’-bipyridine scaffold of the parent LnLval framework is replaced by a 1,10-phenanthroline moiety, systematically lowering the ligand triplet excited state from ca. 22200 cm⁻¹ to ca. 19200 cm⁻¹. This modification selectively enables energy transfer to Eu³⁺ (⁵D₀: 17200 cm⁻¹) while precluding sensitization of Tb³⁺ (⁵D₄: 20400 cm⁻¹)—a selectivity that mirrors the PL behavior and is fully consistent with ligand-mediated excitation. S-EuLvalphen crystallizes in the noncentrosymmetric space group P3₁, adopting an anisotropic lamellar structure that undergoes preferential interlamellar cleavage under mechanical stimulation. As-synthesized S-EuLvalphen exhibits red Eu³⁺-centered TL, whereas the racemic form shows none. Atmospheric gas exclusion experiments and Ln-series TL measurements collectively rule out N₂ discharge and direct Ln³⁺ excitation. Taken together, these results provide direct evidence that mechanical cleavage of the lamellar structure excites the ligand, followed by energy transfer to Eu³⁺ via the photo-antenna effect, establishing ligand triplet excited state engineering as a rational strategy for controlling TL in chiral Ln complexes.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"13 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148946590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Multifaceted Role of Manganese Dopants in Persistent Luminescence Phosphors 锰掺杂剂在持续发光荧光粉中的多方面作用

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-10 DOI: 10.1039/d6qi00697c

Yihong Liu,Lijia Liu

{"title":"The Multifaceted Role of Manganese Dopants in Persistent Luminescence Phosphors","authors":"Yihong Liu,Lijia Liu","doi":"10.1039/d6qi00697c","DOIUrl":"https://doi.org/10.1039/d6qi00697c","url":null,"abstract":"Persistent luminescence (PersL) is a unique optical phenomenon in which light emission is maintained after removing the excitation sources. Owing to this property, PersL materials have attracted significant attention for applications in anti-counterfeiting, information encryption, optical sensing, and bioimaging. Inorganic phosphors is a major class of PersL materials especially in the commercial setting. Light emission from these materials usually involve metal ions incorporated into an inorganic crystal host lattice as emission centers. Manganese (Mn) is a particularly versatile metal dopant in the PersL system. It contains two different oxidation states, Mn2+ and Mn4+, both of which can be effectively doped into a host lattice to generate emission. Mn2+ has a coordination-dependent broadband emission profile, with tunable color ranging from green to red depending on its site occupancy and crystal field strength, while Mn4+ typically produces deep-red emission in a six-fold environment. In this review, we will focus on Mn-doped PersL phosphors, summarizing their emission mechanism and clarifying the relationship between emission color, crystal field strength with Tanabe-Sugano diagram, and dopant site occupancy. The summary, challenges, and future development direction in this field are provided to guide the design of next-generation Mn-activated PersL materials.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"6 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915221","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Charge-transfer-band-engineered Eu3+-doped phosphors for WLEDs and optical thermometry dual-applications 用于wled和光学测温双重应用的电荷转移带工程Eu3+掺杂荧光粉

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-10 DOI: 10.1039/d6qi01461e

Tangkun Wang,Nan Yang,Peng Peng Dai

{"title":"Charge-transfer-band-engineered Eu3+-doped phosphors for WLEDs and optical thermometry dual-applications","authors":"Tangkun Wang,Nan Yang,Peng Peng Dai","doi":"10.1039/d6qi01461e","DOIUrl":"https://doi.org/10.1039/d6qi01461e","url":null,"abstract":"Rare-earth-activated multifunctional luminescent materials are increasingly in demand for white light-emitting diodes (WLEDs) and optical thermometry. Nevertheless, phosphors that simultaneously deliver high-performance dual-functionality remain scarce. In this work, a series of novel garnet-type LGGO:Eu3+ phosphors were synthesized through a high-temperature solid-state reaction. The results confirm that Eu3+ activators were successfully incorporated into the host lattice, giving rise to bright red emission. It is worth noting that the synthesized phosphor possesses excellent thermal stability under 395 nm excitation, with 87% of the initial intensity retained at 425 K. A white-light LED fabricated using LGGO:Eu3+ exhibits a color rendering index of 86.2 and a correlated color temperature of 5150 K, indicating satisfactory performance in WLEDs field. Furthermore, the negative thermal quenching behavior observed at the CTB edge, induced by temperature-dependent redshift, provides a favorable basis for constructing a multimode optical thermometer. The maximum relative sensitivities achieved under EIR and two SBR modes are 4.23%, 4.99%, and 5.23% K⁻¹, respectively, demonstrating the great potential of this work for dual-functional applications in both solid-state lighting and non-contact temperature sensing.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"1 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solvent-ligand competition in bismuth metal-organic frameworks: control of structure and photophysical properties 铋金属有机骨架中溶剂配体的竞争：结构和光物理性质的控制

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-10 DOI: 10.1039/d6qi01452f

Wafaa A. Mohamed,Laurens Bourda,Diem Van Hamme,Rino Morent,Nathalie De Geyter,Kristof Van Hecke,Pascal Van Der Voort

{"title":"Solvent-ligand competition in bismuth metal-organic frameworks: control of structure and photophysical properties","authors":"Wafaa A. Mohamed,Laurens Bourda,Diem Van Hamme,Rino Morent,Nathalie De Geyter,Kristof Van Hecke,Pascal Van Der Voort","doi":"10.1039/d6qi01452f","DOIUrl":"https://doi.org/10.1039/d6qi01452f","url":null,"abstract":"Understanding how solvent coordination affects the assembly of metal-organic frameworks (MOFs) is essential for controlling their structure and properties. Herein, we report a series of bismuth-based MOFs constructed from a triazine-derived tricarboxylate ligand (TATAB), obtained by varying the solvent environment as the sole compositional parameter. Single-crystal X-ray diffraction shows that DMF-, NMP-, and DMSO/DMF-derived materials adopt closely related interpenetrated frameworks, yet exhibit distinct distortions in the Bi 3+ coordination sphere, including variations in coordination angles, ligand and solvent orientations, and solvent occupancy. These structural differences arise from competition between solvent molecules and the ligand for coordination sites. They lead to marked variations in crystal morphology and photophysical behavior. Diffuse reflectance and photoluminescence measurements reveal systematic shifts in absorption edges, bandgaps, emission profiles, and excited-state lifetimes, even among structurally similar frameworks. These changes originate from solvent-dependent modulation of the local coordination environment and the associated charge-transfer interactions at the Bi 3+ centers. These results highlight solvent coordination as an effective strategy for tuning photophysical properties in MOFs and establish the potential of solvent-ligand competition as a design principle for functional framework materials relevant to sensing, photocatalysis, and optoelectronic applications.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"23 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tuning Exciton Transport Rate in Two-Dimensional Perovskites via Modulating the Intra-Octahedral Distortion 通过调节八面体畸变调节二维钙钛矿中的激子输运率

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-10 DOI: 10.1039/d6qi01630h

Shihui He,Minjie Li,Yumo Han,Haotian Bai,Yan Wan

{"title":"Tuning Exciton Transport Rate in Two-Dimensional Perovskites via Modulating the Intra-Octahedral Distortion","authors":"Shihui He,Minjie Li,Yumo Han,Haotian Bai,Yan Wan","doi":"10.1039/d6qi01630h","DOIUrl":"https://doi.org/10.1039/d6qi01630h","url":null,"abstract":"Two-dimensional (2D) layered perovskites, formed by introducing hydrophobic organic cations as natural spacers into the three-dimensional perovskite framework, exhibit significantly enhanced environmental stability and tunable structures. These attributes make them attractive for optoelectronic applications, where exciton transport plays an essential role in determining device performance. However, the intrinsic structural factors governing exciton transport in 2D perovskites, particularly the role of intra-octahedral distortion, have remained largely underexplored, while prior investigations were focusing predominantly on inter-octahedral distortions. Here, by preparing three high-quality single crystals via a solution diffusion method and modulating the organic cations ((4AMP)2+, (HDA)2+, (HA)+), we provide the first systematic revelation of the decisive role of intra-octahedral structural distortion in regulating exciton diffusion in 2D perovskites. The in-plane exciton diffusion process has been directly visualized by using transient absorption microscopy. We find that the exciton diffusion constant (D) exhibits a strong negative correlation with the intra-octahedral distortion. Owing to its ordered organic cation arrangement, (HDA)PbI4 shows the smallest intra-octahedral distortion and the highest D (0.329 cm2 s-1). In contrast, (4AMP)PbI4, with the most pronounced intra-octahedral distortion, exhibits a significantly lower D of 0.040 cm2 s-1. This finding extends the structure–property correlation from inter-octahedral distortions to the largely unexplored dimension of intra-octahedral local structural ordering. Based on the current dataset, our work suggests that intra-octahedral distortion may also be a key intrinsic factor determining the exciton mobility in 2D perovskites. Consequently, we preliminarily propose a strategy of prioritizing flexible chain-like diammonium cations over rigid cyclic cations, with the aim of significantly enhancing exciton transport rate by reducing intra-octahedral distortion.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"39 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cation-Distribution Engineering for High-Performance Noble Metal-Free Electrochemical Water Oxidation 高性能无贵金属电化学水氧化的阳离子分布工程

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-10 DOI: 10.1039/d6qi01943a

Muhammad Zulqarnain,Wei Zheng,Oleg I. Lebedev,John F Berry,Marcell Hollo,Kathleen A. Dunn,Evgeny V. Dikarev

{"title":"Cation-Distribution Engineering for High-Performance Noble Metal-Free Electrochemical Water Oxidation","authors":"Muhammad Zulqarnain,Wei Zheng,Oleg I. Lebedev,John F Berry,Marcell Hollo,Kathleen A. Dunn,Evgeny V. Dikarev","doi":"10.1039/d6qi01943a","DOIUrl":"https://doi.org/10.1039/d6qi01943a","url":null,"abstract":"Cation-distribution engineering enabled by a molecular single-source precursor approach provides atomic-level control over stoichiometry and site occupancy, allowing access to a normal-spinel CoFe2O4 phase that has previously been overlooked as a high-performance oxygen evolution reaction (OER) catalyst. Controlled thermal decomposition of the heterometallic precursor produces phase-pure CoFe2O4 nanoparticles (5–10 nm) with tunable cation distribution between tetrahedral and octahedral sites. At lower synthetic temperatures, the catalyst preferentially adopts a normal-spinel configuration, as confirmed by the 57Fe Mössbauer spectroscopy. This cation arrangement promotes favorable electronic coupling, accelerates charge transfer, and results in a large electrochemically active surface area. Consequently, the material exhibits an overpotential of only 72 mV at 10 mA·cm-2 in alkaline media, along with markedly reduced charge-transfer resistance, outperforming all previously reported spinel-based OER catalysts. The catalyst maintains stable operation for 600 h at current densities of up to 50 mA·cm-2 without measurable degradation or metal leaching. Temperature-dependent studies directly correlate the enhanced activity and durability with cation distribution rather than thermal sintering effects. These findings establish normal-spinel CoFe2O4 as a promising benchmark within the family of spinel OER electrocatalysts and highlight low-temperature molecular precursor strategies as an effective approach for designing intrinsically active and durable earth-abundant OER materials.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"150 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Understanding and Mitigating the Voltage Loss in Tin-Lead Perovskite Solar Cells 了解和减轻锡铅钙钛矿太阳能电池的电压损失

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-10 DOI: 10.1039/d6qi01356b

Chunli Xiang,Xiangxi Chen,Xing Zhou,Minhang Liu,Jin Zhao,Qiang Zhou,Xiaojun Li,Hongquan Zhao,Xingzhu Wang,Weichuan Zhang

{"title":"Understanding and Mitigating the Voltage Loss in Tin-Lead Perovskite Solar Cells","authors":"Chunli Xiang,Xiangxi Chen,Xing Zhou,Minhang Liu,Jin Zhao,Qiang Zhou,Xiaojun Li,Hongquan Zhao,Xingzhu Wang,Weichuan Zhang","doi":"10.1039/d6qi01356b","DOIUrl":"https://doi.org/10.1039/d6qi01356b","url":null,"abstract":"Halide lead-based perovskite photovoltaics have recently demonstrated exceptional progress, achieving certified power conversion efficiencies above 27% that closely approach the Shockley-Queisser (S-Q) theoretical limit for single-junction solar cells. The development of all-perovskite tandem solar cells integrating wide-bandgap (WBG) lead-based perovskite and mixed tin-lead (Sn-Pb) narrow-bandgap (NBG) perovskite subcells offers a promising strategy to overcome this efficiency limitation. Despite considerable progress, Sn-Pb perovskite solar cells (PSCs) still exhibit a lower power conversion efficiency (PCE) compared to lead-based cells, where substantial open-circuit voltage (VOC) losses are recognized as a major factor limiting further advancement. To address this, the review first outlines the fundamental structural constituents, optoelectronic properties and application scenarios of Sn-Pb perovskite, examines their structure-performance-loss relationships, and culminates in an exploration of the underlying origin and mechanisms of the voltage loss. Furthermore, it highlights the recent advances in mitigating voltage loss of Sn-Pb PSCs, including additive engineering, solvent regulation, interface optimization, and hole-selective contacts. Finally, we discuss the prevailing challenges and future perspectives for improving the performance and stability of Sn-Pb PSCs and all-perovskite tandem solar cells, thereby providing insights for overcoming the barriers to their commercialization.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"51 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A [Cu] cluster-based metal-hydrogen-bonded organic framework for efficient C–N coupling toward antibacterial benzothiazoles 基于[Cu]团簇的金属-氢键有机骨架对抗菌苯并噻唑的高效C-N偶联

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-10 DOI: 10.1039/d6qi01181k

Ge Gao,Yujie Zhou,Yaxin Wang,Zhuoya Ma,XinCheng Wang,Peixiao Jiang,Jian Zhao,Zhuohao Jiao,Jing Wang,Yuheng Liu

{"title":"A [Cu] cluster-based metal-hydrogen-bonded organic framework for efficient C–N coupling toward antibacterial benzothiazoles","authors":"Ge Gao,Yujie Zhou,Yaxin Wang,Zhuoya Ma,XinCheng Wang,Peixiao Jiang,Jian Zhao,Zhuohao Jiao,Jing Wang,Yuheng Liu","doi":"10.1039/d6qi01181k","DOIUrl":"https://doi.org/10.1039/d6qi01181k","url":null,"abstract":"C–N bond formation plays a central role in the construction of nitrogen-containing heterocycles, many of which are privileged structural motifs in antibacterial agents. However, the development of efficient, mild, and recyclable catalytic systems for the synthesis of antibacterial benzothiazole derivatives remains an important challenge. To solve these issues, we rationally designed and constructed a novel Cu-based metal-hydrogen-bonded organic framework (Cu-MHOF) as an efficient and recyclable heterogeneous catalyst for the synthesis of 2-aminophenyl benzothiazoles through C–N coupling. Benefiting from the well-dispersed Cu sites and porous framework structure, the Cu-MHOF enables efficient C–N coupling under mild conditions, affording diverse 2-aminophenyl benzothiazoles in good yields with a broad substrate scope, good functional-group tolerance, and excellent recyclability. Mechanistic studies and DFT calculations further reveal the important role of the accessible Cu sites in substrate activation and C–N bond formation. Recycling experiments, PXRD analysis, and structural characterization further confirm the robustness of the catalyst. Importantly, we further evaluated the antibacterial application of the synthesized benzothiazole derivatives, and selected compounds exhibited antibacterial and antibiofilm activities against Staphylococcus aureus with favorable biocompatibility. This work provides a mild, efficient, and recyclable catalytic strategy for the synthesis of antibacterial benzothiazoles and highlights the value of Cu-MHOFs in bioactive heterocycle construction.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"32 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148915227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tuning Zeolite Phase Selection Through Framework Aluminum Content: Insights from Computational and Experimental Studies 通过框架铝含量调整沸石相选择：从计算和实验研究的见解

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-09 DOI: 10.1039/d6qi01826b

German Sastre

引用次数: 0

Direct regeneration of spent LiMnO cathodes with F-doping towards stable storage properties 用f掺杂直接再生废LiMnO阴极以获得稳定的存储性能

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2026-09-09 DOI: 10.1039/d6qi01419d

Shuo Liu,Hongshuo Yang,Yang Zhang,Liming Zhang,Jian Lu,Qingrong Kong,Zhi Su

{"title":"Direct regeneration of spent LiMnO cathodes with F-doping towards stable storage properties","authors":"Shuo Liu,Hongshuo Yang,Yang Zhang,Liming Zhang,Jian Lu,Qingrong Kong,Zhi Su","doi":"10.1039/d6qi01419d","DOIUrl":"https://doi.org/10.1039/d6qi01419d","url":null,"abstract":"Lithium-ion batteries generally provide a service life of about five to eight years. With the continuous growth of the global battery market, the number of spent batteries produced has increased sharply. The disposal of spent batteries causes not only environmental pollution but also serious resource waste, with cathode materials representing the most valuable component in lithium-ion battery recycling. This study mainly investigates the regeneration and reutilization of spent lithium manganese oxide (LiMn2O4, LMO) cathode materials. During regeneration, oxygen defects are introduced into the LMO structure, enabling the preparation of fluorine-doped regenerated LMO materials. Electrochemical performance evaluation shows that the 0.2F-RLMO cathode delivers a high reversible capacity (with an initial discharge capacity of 146.7 mAh g−1 at 0.5C and 133.9 mAh g−1 after 200 cycles) and an excellent capacity retention of 91.3%. Density functional theory calculations confirm that F substitution suppresses lattice oxygen activation and reduces the Li+ migration barrier, enhancing stability and kinetics, agreeing with experiments. Moreover, after being assembled into a full cell, the material maintains 83.5% of its initial capacity after 100 cycles at a current density of 0.5C, confirming favorable cycling stability. Fluoride ion doping can generate oxygen vacancies, thereby increasing the lithium-ion diffusion coefficient in LMO and improving the structural stability and electrochemical cycling durability of the material.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"28 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148909064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0