Inorganic Chemistry Frontiers最新文献

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Ferroelectricity in perovskite realized by switchable skewed conformation
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-19 DOI: 10.1039/d5qi00325c
Zhuoer Cai, Yinan Zhang, Xiu-Ni Hua, Hai-Bao Duan, Baiwang Sun
{"title":"Ferroelectricity in perovskite realized by switchable skewed conformation","authors":"Zhuoer Cai, Yinan Zhang, Xiu-Ni Hua, Hai-Bao Duan, Baiwang Sun","doi":"10.1039/d5qi00325c","DOIUrl":"https://doi.org/10.1039/d5qi00325c","url":null,"abstract":"Ferroelectric materials have broad application prospects in photovoltaics, energy storage, information storage and other fields, and it is always a challenge to obtain ferroelectric materials through rational molecular design. Noncentrosymmetric crystallization, directional arrangement of dipoles and appropriate flipping barrier are all difficult problems in building ideal ferroelectric materials. In this article, a novel hybrid material TDMHACdCl3 (1, TDMHA+ is N-(tert-butyl)-N,N-dimethylhydroxylammonium) with ferroelectric property was successfully synthesized and characterized. A CH3/OH substitution strategy was employed to construct the hydrogen bond between the organic cation and the inorganic framework, deflecting the dipole moment direction of the cation. To minimize the energy of the crystal lattice, hydrogen bonds compete with the cation conformation, causing the cations to deviate from the optimal conformation, allowing the dipoles to be oriented in one direction. The crystal structure and quantum chemical calculations were thoroughly discussed to reveal the origin of the ferroelectric property in this work. We believe that our design will contribute to the discovery of more ferroelectric materials.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"70 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654202","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
Engineering first-order spin–orbit coupling in a pentagonal bipyramidal Fe(II) complex and subsequent SMM behavior
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d4qi03255a
Kateryna Bretosh, Virginie Béreau, Flaurent Heully-Alary, Nicolas Suaud, Carine Duhayon, Elen Duverger-Nédellec, Nathalie Guihéry, Jean-Pascal Sutter
{"title":"Engineering first-order spin–orbit coupling in a pentagonal bipyramidal Fe(II) complex and subsequent SMM behavior","authors":"Kateryna Bretosh, Virginie Béreau, Flaurent Heully-Alary, Nicolas Suaud, Carine Duhayon, Elen Duverger-Nédellec, Nathalie Guihéry, Jean-Pascal Sutter","doi":"10.1039/d4qi03255a","DOIUrl":"https://doi.org/10.1039/d4qi03255a","url":null,"abstract":"Pentagonal bipyramidal (PBP) complexes with a first-order spin–orbit coupling contribution can be readily obtained, mainly through chemical design optimization ensuring minimum structural distortion and a more symmetrical ligand field. This conclusion follows from the investigation of a series of five Fe(<small>II</small>) complexes: [FeL<small><sup>N5</sup></small>(H<small><sub>2</sub></small>O)Cl]Cl·4.5H<small><sub>2</sub></small>O, <strong>1</strong>; [FeL<small><sup>N5</sup></small>Cl<small><sub>2</sub></small>]·3H<small><sub>2</sub></small>O, <strong>2</strong>; [FeL<small><sup>N5</sup></small>Br<small><sub>2</sub></small>], <strong>3</strong>; [FeL<small><sup>N5</sup></small>I<small><sub>2</sub></small>], <strong>4</strong>; and [Fe<small><sub>0.12</sub></small>Zn<small><sub>0.88</sub></small>L<small><sup>N5</sup></small>I<small><sub>2</sub></small>], <strong>5</strong> (L<small><sup>N5</sup></small> stands for the pentadentate macrocyclic ligand formed by the condensation of 2,6-diacetylpyridine and 2,9-di(α-methylhydrazino)-1,10-phenanthroline). Theoretical calculations revealed quasi-degeneracy of the d<small><sub><em>xz</em></sub></small> and d<small><sub><em>yz</em></sub></small> orbitals for the complexes with halide ligands at the apical positions (Δ<em>E</em> = 91, 134, and 142 cm<small><sup>−1</sup></small>, respectively, for <strong>2–4</strong>). This small energy gap leads to SO states with very strong mixing of the ground and first excited quintet states. Therefore, the ZFS Hamiltonian is not suitable for modelling the magnetic properties of complexes <strong>2–5</strong>. This does not apply for <strong>1</strong> with Δ<em>E</em> = 412 cm<small><sup>−1</sup></small>. The recorded magnetic behaviors indicated strong magnetic anisotropy; for <strong>1</strong> <em>D</em> = −24 cm<small><sup>−1</sup></small> was obtained. The Br and I derivatives were found to behave as SMMs (with a <em>U</em>/<em>k</em><small><sub>B</sub></small> of about 90 K), the latter even in the absence of a static field.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"18 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640075","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
Distinguishing and unraveling classical and non-classical pathways in MFI zeolite crystallization: Insights into their contributions and impact on the final product
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d5qi00224a
Jiayu Yu, Ke Du, Di Pan, He Li, Ling Ding, Wei Chen, Yahong Zhang, Yi Tang
{"title":"Distinguishing and unraveling classical and non-classical pathways in MFI zeolite crystallization: Insights into their contributions and impact on the final product","authors":"Jiayu Yu, Ke Du, Di Pan, He Li, Ling Ding, Wei Chen, Yahong Zhang, Yi Tang","doi":"10.1039/d5qi00224a","DOIUrl":"https://doi.org/10.1039/d5qi00224a","url":null,"abstract":"Simplifying complex synthesis system containing multiple species into ones with single classical or nonclassical growth path is valuable for understanding their respective mechanisms. However, most zeolites growth involves intertwined classical and non-classical mechanisms, making it crucial to distinguish and modulate their contributions in original synthetic system. In this study, we provide a method to distinguish and directly quantity the contributions of classical and non-classical crystallization pathways in MFI zeolite synthesis, demonstrating that the dominant pathway can be shifted from non-classical to classical by varying the H2O/SiO2 and ethanol/SiO2 ratios. Our findings show that reducing H2O/SiO2 favors the non-classical pathway, while increasing ethanol/SiO2 promotes the classical mechanism. However, these changes have minimal effect on their crystallization sequences: the non-classical pathway predominates initially, but both pathways intertwine as crystallization progresses. Notably, the shift in crystallization pathway does not significantly affect the acidic properties of the zeolites but has a direct impact on their catalytic performance. The catalytic activity of the resulting ZSM-5 zeolites in furfuryl alcohol etherification correlates with the classical pathway contribution, with higher contributions leading to enhanced catalytic activity. This study provides new insights into the zeolite crystallization process, offering a valuable approach for optimizing synthesis conditions and improving catalyst performance.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"24 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640184","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
Synergistic Crystalline Catalysts Assembled with Wells-Dawson-type Polyoxometalate and Heterovalent Metal-Complex for Efficient Benzylic C-H Bond Oxidation
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d5qi00430f
Ze-Xuan Liu, Jing Du, Shuai Li, Miao-Qi Zhu, Yuan-Yuan Ma, Zhangang Han
{"title":"Synergistic Crystalline Catalysts Assembled with Wells-Dawson-type Polyoxometalate and Heterovalent Metal-Complex for Efficient Benzylic C-H Bond Oxidation","authors":"Ze-Xuan Liu, Jing Du, Shuai Li, Miao-Qi Zhu, Yuan-Yuan Ma, Zhangang Han","doi":"10.1039/d5qi00430f","DOIUrl":"https://doi.org/10.1039/d5qi00430f","url":null,"abstract":"Integrating polyoxometalate and catalytically active metal centers with multiple chemical states provides a promising approach for the design of efficient catalysts for benzyl C-H bond oxidation. Herein, two synergistic crystalline catalysts assembled with Wells-Dawson-type [P2W18O62]6- cluster and heterovalent Cu-complex were synthesized for benzylic C−H oxidation, with the formula of [Cu3ICu3II(μ2-OH)6(H2O)1.5(DTAB)3][H3P2W18O62]·18H2O (1), and [CuI2(DTAB)2]{[CuI2(μ3-Cl)][CuI4(μ3-Cl)](DTAB)4]}[P2W18O62]·9H2O (2) (DTAB = 1,4-di[4H-1,2,4-triazol-4-yl]-benzene). Compound 1 possesses 2-D copper-ligand cation layers composed of heterovalent [CuI3CuII3(μ2-OH)6]3+ chains, in which the protonated [H3P2W18O62]3- polyanions intercalate between them. Compound 2 has a sandwich-like 2-D lamellar structure consisting of three copper-organic units (binuclear {CuI2}, trinuclear {CuI3Cl}, and tetranuclear {CuI4Cl} units), in which the [P2W18O62]6- clusters are encapsulated. The heterovalent copper species and [P2W18O62]6- clusters within two compounds render them dual-site synergistic catalysts for exploring the roles of each component in the selective oxidation of benzyl C-H bond. Using the oxidation of diphenylmethane (DPM) as a model reaction, two synergistic catalysts displayed ca. 95% and 92% DPM conversion with &gt;98% benzophenone (BP) selectivity within 8h. Mechanism investigations revealed that both copper sites and polyanionic clusters as active centers corporately promoted the absorption and activation of t-BuOOH oxidant in the radical-mediated DPM oxidation reaction via coordination and hydrogen bonding interactions to generate active t-BuO• and •OH radicals, accelerating the oxidation of DPM and the formation of BP. Additionally, this kind of synergistic catalysts showcased excellent substrate compatibility and recoverability, as well as robust structural stability. This work affords a promising approach for designing efficient POM-based crystalline catalysts for benzyl C-H bond oxidation.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"55 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640074","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
Carbon-coated W-doped NiMoN catalysts with enhanced antioxidant properties for robust water electrolysis under fluctuating electricity
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d4qi03100h
Rufei Zhang, Hui Teng, Jinyuan Miao, Jianing Kang, Lili Zhou, Linting Cheng, Zhiqun Bai, Jianwen Zhang, Jia Liu, Yang Tang, Pingyu Wan
{"title":"Carbon-coated W-doped NiMoN catalysts with enhanced antioxidant properties for robust water electrolysis under fluctuating electricity","authors":"Rufei Zhang, Hui Teng, Jinyuan Miao, Jianing Kang, Lili Zhou, Linting Cheng, Zhiqun Bai, Jianwen Zhang, Jia Liu, Yang Tang, Pingyu Wan","doi":"10.1039/d4qi03100h","DOIUrl":"https://doi.org/10.1039/d4qi03100h","url":null,"abstract":"For renewable energy-driven water electrolysis, developing low cost, highly active and durable electrocatalysts is essential. Here, we prepared a W-doped NiMoN microcolumn coated with a nitrogen doped carbon layer (W-NiMoN@NC) as an excellent non-precious electrocatalyst. This material displays excellent hydrogen evolution reaction (HER) activity with low overpotentials of 13 and 67 mV at 10 and 100 mA cm<small><sup>−2</sup></small>, outperforming commercial Pt/C. DFT calculations show that W doping optimizes the water dissociation and H* adsorption processes, improving HER activity. Additionally, W doping coupled with an ultrathin NC coating enhances the intrinsic anti-oxidation ability of NiMoN. After 100 cycles of harsh fluctuating electrolysis, the incremental overpotential of W-NiMoN@NC is only 8 mV at 1000 mA cm<small><sup>−2</sup></small>, significantly less than that of undoped NiMoN@NC (56 mV). The excellent anti-oxidation ability of W-NiMoN@NC resulting from its high reserves of Ni<small><sup>0</sup></small> was proved by XPS analysis after fluctuating electrolysis. This inside-out strategy endows W-NiMoN@NC with an exceptional feature of long-term durability under harsh fluctuating conditions and a promising potential for application in renewable energy-powered electrolysis.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"16 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640078","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
Machine Learning Assisted Design of Oxygen-containing Inorganic Coating Materials on Separator for Lithium Metal Anode
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d5qi00111k
Chenxi Xu, Teng Zhao, Ji Qian, Ke Wang, Tianyang Yu, Wangming Tang, Li Li, Feng Wu, Renjie Chen
{"title":"Machine Learning Assisted Design of Oxygen-containing Inorganic Coating Materials on Separator for Lithium Metal Anode","authors":"Chenxi Xu, Teng Zhao, Ji Qian, Ke Wang, Tianyang Yu, Wangming Tang, Li Li, Feng Wu, Renjie Chen","doi":"10.1039/d5qi00111k","DOIUrl":"https://doi.org/10.1039/d5qi00111k","url":null,"abstract":"The growth of lithium dendrites and its associated challenges pose significant obstacles to the widespread adoption of lithium metal. Although numerous inorganic materials offer the potential for stabilizing lithium metal anodes, the trial-error experiments are time-consuming and cost-intensive. In this work, firstly, a high-throughput screening workflow embedded with machine learning and calculation has been used to identify possible materials, which incorporates several key indicators encompassing electronic conductivity, phase stability, mechanical properties, chemical stability, and lithium-ion transport performance. Four materials were used for experiment, and both characterization and electrochemical test results show that HfO2@PP exhibits the best performance, which has the highest Young's modulus, and the Li||Li symmetry cell assembled at 1 mA cm-2, 1 mAh cm-2 can have a stable cycle of over 1000h, and the assembled Li||LFP cell has a capacity retention rate of more than 90% and an average coulombic efficiency of 99.7% after 200 cycles at 1C. This work provides a design method and ideas for Inorganic coating materials on a separator for lithium metal anode.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"43 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640004","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
Fluorescence of europium from absence to emergence in cadmium-induced heterobimetallic organic frameworks for ratiometric sensing
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d5qi00365b
Meiling Li, Weiting Yang, Shui-Xing Wu, Zhong-Min Su, Qinhe Pan
{"title":"Fluorescence of europium from absence to emergence in cadmium-induced heterobimetallic organic frameworks for ratiometric sensing","authors":"Meiling Li, Weiting Yang, Shui-Xing Wu, Zhong-Min Su, Qinhe Pan","doi":"10.1039/d5qi00365b","DOIUrl":"https://doi.org/10.1039/d5qi00365b","url":null,"abstract":"Lanthanide-organic frameworks (Ln-MOFs) have garnered increasing research interest as photoluminescent materials. However, the characteristic fluorescence of Ln3+ ions is constrained by the energy level matching between Ln3+ ions and organic ligands, and the impact of the spatial structure of Ln-MOFs on the energy transfer process remains insufficiently explored, thereby limiting their broader optical applications. In this work, we propose a Cd2+-induced heterobimetallic Ln-MOF (HNU-72) as a fluorescence modulation strategy, marking a significant breakthrough in activating the characteristic fluorescence of Ln3+ ions, transitioning from absence to emergence. Both experimental measurements and theoretical calculations reveal that the incorporation Cd2+ ion reconfigures the energy transfer pathway, thereby enhancing the energy transfer modulation between H4TCPE (1, 1, 2, 2-tetri (4-carboxyphenyl) ethylene) and Eu3+ ion. Furthermore, leveraging the dual fluorescence emission peaks observed in HNU-72, we achieve an ultra-low detection limit of 14 ppb for the proportional fluorescence detection of dimethyl sulfide in marine environments. This study not only deepens our understanding of the energy transfer mechanisms in Ln-MOF materials but also paves the way for the development of multifunctional fluorescence sensing platforms.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"124 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640076","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
Efficient screening rooted in a series of transition-metal atom anchored conjugated organic frameworks toward multifunctional HER/OER/ORR via modification of chalcogen ligands: a machine learning and constant potential study
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d5qi00061k
Xiaomeng Cui, Yuanrui Li, Qiang Zhang, Xihang Zhang, Weiju Hao, Yuling Song, Renxian Qin, Yali Lu
{"title":"Efficient screening rooted in a series of transition-metal atom anchored conjugated organic frameworks toward multifunctional HER/OER/ORR via modification of chalcogen ligands: a machine learning and constant potential study","authors":"Xiaomeng Cui, Yuanrui Li, Qiang Zhang, Xihang Zhang, Weiju Hao, Yuling Song, Renxian Qin, Yali Lu","doi":"10.1039/d5qi00061k","DOIUrl":"https://doi.org/10.1039/d5qi00061k","url":null,"abstract":"The pursuit of two-dimensional single-atom catalysts (SACs) holds far-reaching significance for advancing energy conversion and storage technologies by providing efficient, stable, and low-cost alternatives to precious metals for hydrogen evolution (HER), oxygen evolution (OER), and oxygen reduction reactions (ORR). The synergy between the tunable ligands, abundant transition metal active sites, and diverse substrate materials opens new avenues for realizing both stability and enhanced catalytic activity. This study presents a thorough examination of the catalytic HER/OER/ORR activities in 161 TM@C<small><sub>15</sub></small>N<small><sub>6</sub></small>XY<small><sub>2</sub></small>H<small><sub>5</sub></small> SACs, combing density functional theory with machine learning. Thirteen configurations were identified, comprising 11 single-function OER/ORR catalysts, a bifunctional OER/ORR catalyst Cu@C<small><sub>15</sub></small>N<small><sub>6</sub></small>O<small><sub>3</sub></small>H<small><sub>5</sub></small>, and notably, Au@C<small><sub>15</sub></small>N<small><sub>6</sub></small>OS<small><sub>2</sub></small>H<small><sub>5</sub></small> , which demonstrates trifunctional HER/OER/ORR catalytic activity. A pronounced hybridization between Cu/Au-<em>d</em> orbitals and O-<em>p</em> orbitals of oxygenated adsorbates directs lone electrons to antibonding states before transitioning to bonding orbitals, enabling efficient adsorption of oxygenated intermediates on the surface. The data obtained through ML applications indicate that the atomic radius ( <em>r</em><small><sub>TM</sub></small>) and electronegativity ( <em>χ</em>) of TM are the primary descriptors for HER activity, while the d-electron count (<em>θ</em>) and atomic radius (<em>r</em><small><sub>TM</sub></small>) of the atoms are the key descriptors for OER/ORR activities. Utilizing SISSO method, a clear and robust correlation between intrinsic properties and adsorption energy was derived, realizing each-step prediction. Additionally, the constant-potential model shows that electric double-layer capacitance modulates the reaction barrier, meanwhile, pH- and voltage-dependent adsorption free energies indicate that acidic and alkaline conditions (pH 5.3/9.9, Cu@C<small><sub>15</sub></small>N<small><sub>6</sub></small>O<small><sub>3</sub></small>H<small><sub>5</sub></small>/Au@C<small><sub>15</sub></small>N<small><sub>6</sub></small>OS<small><sub>2</sub></small>H<small><sub>5</sub></small> ) enhance OER efficiency, while pH 0 is optimal for ORR.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"69 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640079","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
Distortable functionalized ligand implantation in ultra-microporous MOFs for efficient C2H2 purification
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d5qi00475f
Hong-Juan Lv, Yun-Hui Zhai, Ying-Ying Xue, Jiao Lei, Wenyu Yuan, Quan-Guo Zhai
{"title":"Distortable functionalized ligand implantation in ultra-microporous MOFs for efficient C2H2 purification","authors":"Hong-Juan Lv, Yun-Hui Zhai, Ying-Ying Xue, Jiao Lei, Wenyu Yuan, Quan-Guo Zhai","doi":"10.1039/d5qi00475f","DOIUrl":"https://doi.org/10.1039/d5qi00475f","url":null,"abstract":"Adsorption-based separation techniques are pivotal in the purification of C2H2, leveraging their eco-friendly and energy-efficient attributes. However, the reusability of adsorbents is highly restricted by the trade-off between adsorption capacity and adsorption enthalpy, which is required to be urgently addressed. Herein, we demonstrated that implantation of distortable ligands with functional groups is efficient to solve the above issue. The functional groups provided binding sites for C2H2 adsorption, while the distortable ligands optimized the pore structures to reduce adsorption enthalpy, thus balancing the trade-off between adsorption capacity and enthalpy. A series of ultra-microporous MOFs was successfully constructed via employing different pyridine ligands. The adsorption capacity was effectively enhanced, while the adsorption enthalpy nearly have not been increased due to the adjustable ligand torsion angle. Breakthrough experiments and GCMC simulations further verified the potential C2H2/CO2 separation applications.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"212 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640193","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
Achieving High Performance Ultra-Broadband Near-infrared Emission through Multi-site Occupancy and Energy Transfer Strategy for NIR LED Applications
IF 7 1区 化学
Inorganic Chemistry Frontiers Pub Date : 2025-03-18 DOI: 10.1039/d5qi00215j
Mingkai Wei, Zixi Chen, Yongying Chen, Xinxiang Liang, Na Li, Xuejie Zhang, Wei Li, Haoran Zhang, Maxim S. Molokeev, Bingfu Lei
{"title":"Achieving High Performance Ultra-Broadband Near-infrared Emission through Multi-site Occupancy and Energy Transfer Strategy for NIR LED Applications","authors":"Mingkai Wei, Zixi Chen, Yongying Chen, Xinxiang Liang, Na Li, Xuejie Zhang, Wei Li, Haoran Zhang, Maxim S. Molokeev, Bingfu Lei","doi":"10.1039/d5qi00215j","DOIUrl":"https://doi.org/10.1039/d5qi00215j","url":null,"abstract":"Broadband near-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are considered to be at the forefront of the development of next-generation NIR light sources. However, the performance of NIR pc-LEDs is severely limited due to the narrow band emission, low quantum efficiency, and thermal quenching of NIR-emitting materials. Herein, an efficient and thermally stable broadband NIR LaMgGa11O19:Cr3+,Yb3+ (LMG:Cr3+,Yb3+) phosphor has been successfully designed by [Cr3+-Yb3+] co-doping. The broadband emission phenomenon of LaMgGa11O19:Cr3+ was confirmed to be due to selective lattice occupancy of Cr3+ ions based on the analysis of crystal structures, crystal field calculations, and fluorescence lifetimes. The NIR emission spectra in the range of 1000-1200 nm were enriched by using the highly efficient energy transfer of Cr3+→Yb3+ ions and the detailed the energy transfer mechanism is discussed in detail. The prepared LMG:Cr3+,Yb3+ phosphors exhibit highly efficient ultra-broadband NIR emission from 650 to 1200 nm under 440 nm excitation with high internal and external quantum efficiencies of 94.2%/40.5% and excellent luminescence thermal stability of 89.3%@373 K. A NIR pc-LED prototype was fabricated by combining the optimized phosphor with a commercial 440 nm blue LED chip, providing 84.5 mW NIR output power at 350 mA driven current. Finally, the potential applications of the phosphor in night vision lighting and non-destructive testing were demonstrated. The results show that this work is expected to provide a new strategy for efficient ultra-broadband NIR phosphor design.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"19 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640077","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
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