Journal of Solid State Chemistry最新文献_第2页

Magnetism, orbital splitting and electron–phonon coupling of chalcogenide "11" type iron-based superconductors under high pressure 硫族“11”型铁基超导体在高压下的磁性、轨道分裂和电子-声子耦合

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-27 DOI: 10.1016/j.jssc.2026.125851

Wen-Guang Li , Zheng-Tang Liu , Qi-Jun Liu

{"title":"Magnetism, orbital splitting and electron–phonon coupling of chalcogenide \"11\" type iron-based superconductors under high pressure","authors":"Wen-Guang Li , Zheng-Tang Liu , Qi-Jun Liu","doi":"10.1016/j.jssc.2026.125851","DOIUrl":"10.1016/j.jssc.2026.125851","url":null,"abstract":"<div><div>Studying the basic physical properties of superconducting materials is an important prerequisite for understanding their superconducting transition mechanism. This article is based on first principles calculations to study the structure, electronic structure, and electron–phonon coupling of FeX (X = S, Se, Te) under high pressure. The calculation results indicate that the crystal structures of FeSe and FeTe undergo abrupt changes under pressure at 7 GPa and 6 GPa, respectively. Structural changes can cause abrupt changes in anion height and magnetism. The electronic structure shows that under the combined action of pressure, planar square field, and tetrahedral field, the energy levels of the five split Fe-d orbitals will rearrange. The analysis of the electron–phonon coupling constant shows that the vibration mode of Fe atoms along the z-direction contributes the most to the electron–phonon coupling of FeS and FeTe, while the vibration mode of Se atoms along the z-direction contributes the most to the electron–phonon coupling (EPC) of FeSe.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125851"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Coupled redox and ion-exchange dynamics in [Ru(bpy)3]-Intercalated layered MnO2 [Ru(bpy)3]-插层MnO2的耦合氧化还原和离子交换动力学

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-20 DOI: 10.1016/j.jssc.2026.125838

Kazuaki Tomono, Rion Yamaguchi, Soma Kataoka, Ryota Sugawara, Ryo Sasaki

{"title":"Coupled redox and ion-exchange dynamics in [Ru(bpy)3]-Intercalated layered MnO2","authors":"Kazuaki Tomono, Rion Yamaguchi, Soma Kataoka, Ryota Sugawara, Ryo Sasaki","doi":"10.1016/j.jssc.2026.125838","DOIUrl":"10.1016/j.jssc.2026.125838","url":null,"abstract":"<div><div>Layered manganese dioxide (MnO2) films intercalated with tris(2,2′-bipyridine)ruthenium(II) ([Ru(bpy)3]2+) complexes were electrodeposited under potential control, enabling the selective formation of double-layered (D-type) and single-layered (S-type) intercalation structures. Upon immersion in water, D-type films underwent a controlled structural contraction to form an SD-type single-layer structure while partially retaining the Ru complexes. Comprehensive structural and spectroscopic analyses (XRD, Raman, FT-IR, UV–vis, EDS) revealed that Na+ ion exchange was strongly suppressed in the SD-type, whereas direct ion exchange occurred readily in the D-type. In contrast, S-type films exhibited intrinsic structural stability with minimal Ru leaching. Electrochemical measurements (CV, EIS) demonstrated that residual [Ru(bpy)3] in the SD-type acted as a redox mediator, significantly lowering the charge-transfer resistance and enhancing pseudocapacitance, whereas S-type films promoted ion diffusion through their open layered framework. After 50 charge–discharge cycles, specific capacitances of 268 and 234 F g−1 were obtained for SD- and S-type films, respectively, exceeding that of Na@MnO2. This work provides direct evidence for redox–ion exchange coupling in layered MnO2 and presents a rational strategy to tune interlayer structure and interfacial charge-transfer kinetics through controlled intercalation of redox-active metal complexes.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125838"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146015877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Theoretical study of bimetallic phthalocyanine-based covalent organic frameworks for electrocatalytic synthesis of alanine from CO2 and NO 基于双金属酞菁的共价有机框架电催化CO2和NO合成丙氨酸的理论研究

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-02-06 DOI: 10.1016/j.jssc.2026.125882

JinJi Li, Ling Guo

{"title":"Theoretical study of bimetallic phthalocyanine-based covalent organic frameworks for electrocatalytic synthesis of alanine from CO2 and NO","authors":"JinJi Li, Ling Guo","doi":"10.1016/j.jssc.2026.125882","DOIUrl":"10.1016/j.jssc.2026.125882","url":null,"abstract":"<div><div>Alanine is an important α-amino acid unit of proteins, which is involved in protein synthesis, energy metabolism and other physiological processes in living organisms. Currently, alanine is mainly produced by microbial fermentation and chemical synthesis, the former is inefficient, complex and difficult to purify, and the latter requires harsh conditions, high energy consumption and may pollute the environment. Electrocatalytic synthesis of alanine is currently an emerging green approach. However, oxime, as a crucial intermediate in alanine production, suffers from slow conversion. Therefore, there is an urgent need for efficient catalysts to facilitate the smooth progress of the reaction. In this study, we constructed a series of catalysts termed CoTM1-CoTM2-Pc CCFs (where TM1,2 = Sc–Zn, Y–Cd), which consist of two different bimetallic-site extended phthalocyanines arranged in tandem. Through DFT calculations, we evaluated the performance of this catalyst in the electrochemical process of co-reduction of CO2 and NO to synthesize CH3CH(NH2)COOH. The findings demonstrate that the CoFe–CoNb-Pc CCFs, CoNi–CoNb-Pc CCFs, and CoRu–CoNb-Pc CCFs catalysts exhibit outstanding performance for alanine synthesis, all demonstrating an identical limiting potential of −0.59 eV. This work not only solved the problem of slow conversion of oxime, but also discovered a new pathway for the efficient electrocatalytic synthesis of CH3CH(NH2)COOH.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125882"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

In-situ construction of amorphous-MgAl2O4/Cu2O heterojunction for enhanced photocatalytic degradation performance 原位构建非晶mgal2o4 /Cu2O异质结增强光催化降解性能

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-26 DOI: 10.1016/j.jssc.2026.125852

Xinwei Zou , Xi'nan Zhang , Fukang Gu , Weiqiang Wang , Yuhui Ma , Xuming Zhang

{"title":"In-situ construction of amorphous-MgAl2O4/Cu2O heterojunction for enhanced photocatalytic degradation performance","authors":"Xinwei Zou , Xi'nan Zhang , Fukang Gu , Weiqiang Wang , Yuhui Ma , Xuming Zhang","doi":"10.1016/j.jssc.2026.125852","DOIUrl":"10.1016/j.jssc.2026.125852","url":null,"abstract":"<div><div>While heterojunctions are widely used to enhance photocatalysis, the role of amorphous components remains less explored. This work introduces a novel amorphous-MgAl2O4/Cu2O (a-MgAl2O4/Cu2O) heterojunction constructed via a sol-gel combining in-situ chemical precipitation method, where the a-MgAl2O4 phase acts as a multifunctional promoter. Its defective nature provides abundant active sites, while the formed interface establishes complex charge transfer pathways. This pathway not only promotes the separation of powerful photogenerated electrons and holes but also preserves their high redox potential. Evidence from UV–vis DRS, XPS, PL, and EIS confirms improved light absorption and accelerated interfacial charge transfer. The optimized composite a-MgAl2O4/Cu2O (0.45:1) demonstrated superior degradation activity against methyl orange under visible light irradiation, outperforming pristine Cu2O and a-MgAl2O4 by a factor of more than 2. Mechanistic studies revealed that ·O2− radicals and h+ are the dominant reactive species, and energy band structure analysis confirmed the proposed Type-II model and charge transfer mechanism within the heterojunction. The findings open a new avenue for leveraging amorphous materials in the precise design of advanced heterojunction photocatalysts.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125852"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 novel SrNb2O6:Sm3+/Eu3+ phosphor for WLED applications 一种用于WLED的新型SrNb2O6:Sm3+/Eu3+荧光粉

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-27 DOI: 10.1016/j.jssc.2026.125854

Yi-Fan Bi , Dan Zhao , Rui-Juan Zhang , Qing-Xia Yao , Shen-Long Zhang

{"title":"A novel SrNb2O6:Sm3+/Eu3+ phosphor for WLED applications","authors":"Yi-Fan Bi , Dan Zhao , Rui-Juan Zhang , Qing-Xia Yao , Shen-Long Zhang","doi":"10.1016/j.jssc.2026.125854","DOIUrl":"10.1016/j.jssc.2026.125854","url":null,"abstract":"<div><div>This work reports a new type of Sm3+/Eu3+ co-doped SrNb2O6 phosphor, presenting the mixed emitting spectra of the two excited centers. The synthesis, crystal structure, morphology and luminescent properties has been studied. Upon excitation at 407 nm, the characteristic excited peak of Sm3+, SrNb2O6:Sm3+/Eu3+ exhibits characteristic emissions of both Sm3+ and Eu3+ ions. This indicates the process of energy transfer from Sm3+ to Eu3+, which significantly enhancements the luminescence intensity of SrNb2O6:Sm3+/Eu3+ comparing with the SrNb2O6:Eu3+. Notably, the SrNb2O6:0.02Sm3+/0.04Eu3+ sample possess a quantum yield of 45 % under the exciting light of 407 nm. Furthermore, the SrNb2O6:0.02Sm3+/0.04Eu3+ shows thermally stable luminescence, that the fluorescence intensity undergoes a mere 28 % variation from 298 K to 473 K. The improved optical performance and thermally stable luminescence of SrNb2O6:Sm3+/Eu3+ guarantees its applications in field of luminescence.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125854"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Innovative multifunctional hybrid material based on 8-hydroxyquinoline sulfonate inserted into LDH for corrosion inhibition and monitoring 基于8-羟基喹啉磺酸盐的新型多功能杂化材料插入LDH用于缓蚀和监测

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-31 DOI: 10.1016/j.jssc.2026.125875

Julien Sarmet , Yunge Bai , Marie Guerrier , Damien Boyer , François Reveret , Sabrina Marcelin , Fabrice Leroux

{"title":"Innovative multifunctional hybrid material based on 8-hydroxyquinoline sulfonate inserted into LDH for corrosion inhibition and monitoring","authors":"Julien Sarmet , Yunge Bai , Marie Guerrier , Damien Boyer , François Reveret , Sabrina Marcelin , Fabrice Leroux","doi":"10.1016/j.jssc.2026.125875","DOIUrl":"10.1016/j.jssc.2026.125875","url":null,"abstract":"<div><div>The well-known host inorganic structure of Layered double hydroxides (LDH) is able to accommodate plenty of diverse interleaved guests, acting as cargo for the invited species that are protected from migration, thermal stress or simply delivered in time. Focusing on a dual-property molecule, luminescence and corrosion inhibition, 8-hydroxyquinoline-5-sulfonate (8-HQS) is tentatively incorporated between LDHs interlayer space of Cu2Cr-, Zn2Cr- and Zn2Al-based cation layers composition. Due to the strong propensity of 8-HQS to chelate metals, synthetic protocols are revisited by adopting lower pH and shorter contact times than usual. Focusing on Zn2Al/(8-HQS), the resulting organic-inorganic hybrid materials are characterized by XRD, FTIR, Raman and solid-state 13C cross-polarization magic-angle spinning (CPMAS) NMR. With the idea that 8-HQS may inhibit corrosion process as well as warning that such a process is in progress, the release of the molecule when contacting NaCl solution is scrutinized in terms of quantity and optical signal. Its release is found to be slow due to an intermolecular interaction while its UV–vis spectrum feature informs that Zn2+ ions are chelated. Additionally, exposures of Al2024 and XC38 carbon steel to different electrolytes (NaCl with 8HQS free in solution or intercalated in LDH) show the partial neutralization of 8-HQS released by these cations, rendering 8-HQS not fully effective in acting against corrosion onto the metal surface over a prolonged time. However, this gives some insights to continue with the release of such interleaved dual-property molecule that may act as a vigil for the substrate against corrosion process, in healing and warning, otherwise dormant.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125875"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Competition in the hydrogen bonding network for the crystallization of low-dimensional hybrid perovskites using N-Methyl-2-Pyrrolidone solvent 用n -甲基-2-吡咯烷酮溶剂结晶低维杂化钙钛矿氢键网络的竞争

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-29 DOI: 10.1016/j.jssc.2026.125847

Shunfa Gong , Johann Ravaux , Shashank Mishra , Lionel Flandin , Sébastien Lebègue , Romain Gautier , Adel Mesbah

{"title":"Competition in the hydrogen bonding network for the crystallization of low-dimensional hybrid perovskites using N-Methyl-2-Pyrrolidone solvent","authors":"Shunfa Gong , Johann Ravaux , Shashank Mishra , Lionel Flandin , Sébastien Lebègue , Romain Gautier , Adel Mesbah","doi":"10.1016/j.jssc.2026.125847","DOIUrl":"10.1016/j.jssc.2026.125847","url":null,"abstract":"<div><div>N-methyl-2-pyrrolidone (NMP), a solvent widely used for the preparation of high-quality 3D lead halide perovskite films, has been tested for the synthesis of new low-dimensional hybrid lead halide materials. While the synthesis using different primary amines in aqueous media afforded two-dimensional hybrid perovskites, the use of NMP as a solvent led to the formation of five non-perovskite compounds close to the 1D 2H perovskite crystallizing in the K4CdCl6-type structure. Structural analysis reveals that NMP hinders hydrogen bonding between –NH3+ groups and the halide network with competing interactions leading to 1D non-perovskite structures in place of 2D perovskites. Under these conditions, NMP competes for H-bonding with –NH3+ and systematically favored 1D iodoplumbate chains over 2D perovskites. Optical measurements confirm a bandgap increase consistent with reduced dimensionality.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125847"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 new three-dimensional homochiral Cd-MOF: Synthesis and enantioselective adsorption performance 一种新型三维同手性Cd-MOF的合成及其对映选择性吸附性能

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-02-06 DOI: 10.1016/j.jssc.2026.125884

Xin-Dang Bo , Lei Zhang , Zhi-Nan Zuo , Ben-Lai Wu

{"title":"A new three-dimensional homochiral Cd-MOF: Synthesis and enantioselective adsorption performance","authors":"Xin-Dang Bo , Lei Zhang , Zhi-Nan Zuo , Ben-Lai Wu","doi":"10.1016/j.jssc.2026.125884","DOIUrl":"10.1016/j.jssc.2026.125884","url":null,"abstract":"<div><div>Chiral aromatic alcohols and acids, and their esters are common intermediates in the synthesis of chiral drugs, so it is very meaningful to effectively separate their enantiomers to obtain a single chiral compound. In this work, a new 3D homochiral coordination polymer 1 with metal–organic helicates was successfully prepared by self-assembly of Cd2+ with an enantiomerically pure aromatic polycarboxylic acid ligand derived from l-phenylalanine. Compound 1 displayed one emission band centered at 450 nm, and had good thermal stability and multiple recognition sites. As an adsorbent, material 1 exhibited entioselective adsorption separation performance for the enantiomers of mand ester (mand ester = mandelic acid methyl ester), mand (mand = mandelic acid) and phen (phen = 1-phenylethan-1-ol), and showed preferential adsorption for R-mand ester, S-mand and R-phen. Notably, the enantioselective adsorption performance of material 1 was affected not only by the initial concentrations of chiral substrates but by their structures. In particular, material 1 had relatively excellent enantioselective separation for phen, with the enantioselective adsorption ratio and enantiomeric excess value reaching 9.36 and 40.01%, respectively, indicating that material 1 has attractive potential applications in the separation of racemic 1-phenylethan-1-ol.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125884"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Synthesis and photoluminescence characteristics of novel BaBi2(MoO4)4:Sm3+ phosphors 新型BaBi2(MoO4)4:Sm3+荧光粉的合成及其光致发光特性

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-02-01 DOI: 10.1016/j.jssc.2026.125877

Weiguang Ran , Jiayi Geng , Yue Sun , Ziyou Zhou , Mingyue Zhang , Xiang Li , Zicheng Zhang , Yongchao Ma , Tingjiang Yan

{"title":"Synthesis and photoluminescence characteristics of novel BaBi2(MoO4)4:Sm3+ phosphors","authors":"Weiguang Ran , Jiayi Geng , Yue Sun , Ziyou Zhou , Mingyue Zhang , Xiang Li , Zicheng Zhang , Yongchao Ma , Tingjiang Yan","doi":"10.1016/j.jssc.2026.125877","DOIUrl":"10.1016/j.jssc.2026.125877","url":null,"abstract":"<div><div>This paper presents the successful preparation of novel BaBi2(MoO4)4:Sm3+ orange-red phosphors through a solid-state reaction conducted under ambient atmospheric conditions at elevated temperatures. The elemental composition and phase structure were characterized using techniques such as XRD, XPS, and FE-SEM. The excitation and emission spectra, concentration quenching mechanism, thermal stability, and fluorescence lifetime of the prepared phosphors were comprehensively investigated. First-principles calculations were employed to determine the crystal structures, electronic structures, and phonon distribution. Fluorescence spectra revealed that Sm3+-doped BaBi2(MoO4)4 phosphors emit a bright orange-red light when excited at 406 nm. We identified the optimal doping concentration and the mechanism behind concentration quenching. The emission characteristics and thermal stability of the phosphors were also discussed, thereby highlighting the potential of the BaBi2(MoO4)4:0.04Sm3+ phosphor for applications in light-emitting diodes (LEDs).</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125877"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Deciphering the trade-off of Co/Mn ratio modulation on electrochemical performance of ultrahigh-nickel cathode materials 解析Co/Mn比调制对超高镍阴极材料电化学性能的影响

IF 3.5 3区化学

Journal of Solid State Chemistry Pub Date : 2026-05-01 Epub Date: 2026-01-23 DOI: 10.1016/j.jssc.2026.125848

Hang Chen , Cheng Wei , Jingyuan Guo , Hongyu Yang , Ye Yu , Yang Wu , Lijuan Wang , Yihang Li , Zhimin Li

{"title":"Deciphering the trade-off of Co/Mn ratio modulation on electrochemical performance of ultrahigh-nickel cathode materials","authors":"Hang Chen , Cheng Wei , Jingyuan Guo , Hongyu Yang , Ye Yu , Yang Wu , Lijuan Wang , Yihang Li , Zhimin Li","doi":"10.1016/j.jssc.2026.125848","DOIUrl":"10.1016/j.jssc.2026.125848","url":null,"abstract":"<div><div>Ultrahigh-nickel cathode materials (Ni ≥ 0.9) are prime candidates for high power lithium-ion batteries because of their high specific capacity and lower cost compared to high-cobalt cathodes. However, the modulating mechanisms of Co/Mn ratios on electrochemical performance under different cutoff voltages remain elusive. Here, we decouple this relationship by benchmarking three model compositions with distinct Co/Mn ratios: LiNi0.96Mn0.04O2 (Co/Mn = 0), LiNi0.97Co0.02Mn0.01O2 (Co/Mn = 2), and LiNi0.94Co0.05Mn0.01O2 (Co/Mn = 5). By employing multi-scale characterization techniques, it is found that the Co/Mn ratio governs both H2/H3 phase-transition reversibility and oxygen-vacancy chemistry under varying cut-off voltages. At 4.3 V, an elevated Co/Mn ratio enhances H2/H3 reversibility, enabling NCM940501 to achieve optimal performance with 212.15 mAh g−1 capacity at 1 C and 92.8 % retention after 100 cycles. Pushing the cut-off to above 4.4 V reverses this trend: lower Co/Mn ratio effectively suppresses H2/H3 phase transition kinetics, endowing NM9604 with superior cyclability. However, the reduced intrinsic oxygen vacancy concentration of NM9604 compromises Li+ diffusion kinetics, yielding only 117 mAh g−1 at 10 C, 30 % lower than NCM940501(140 mAh g−1). These findings establish a quantitative link between transition-metal stoichiometry and performance trade-offs, offering a new perspective for the design and modification of high-voltage and high-energy cathodes.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"357 ","pages":"Article 125848"},"PeriodicalIF":3.5,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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