Small
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2025
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IF 12.1
Chang Sun,Zixuan Ma,Wenxuan Fang,Shuyi Huang,Xinrong Guo,Xin Yu,Xishi Tai,Xiangxue Wang,Wen Yao
Conventional strategies for enhancing the performance of metal-organic framework (MOF) adsorbents primarily focus on modifying functional groups, while the critical role of central metal ions remains underexplored. Herein, a definitive structure-activity relationship governing uranyl (U(VI)) elimination by engineering isomorphic HHTP MOFs (HHTP = 2,3,6,7,10,11-hexahydroxytriphenylene) with Zn 2+ , Ni 2+ , and Cu 2+ centers is revealed. Advanced characterization confirms that the identity of the metal dictates electronic configurations and binding thermodynamics without altering crystallographic topology. Remarkably, Zn-HHTP achieves a record U(VI) uptake capacity of 458.73 mg·g −1 , surpassing Ni-HHTP (441.27 mg·g −1 ) and Cu-HHTP (317.24 mg·g −1 ), coupled with ultrafast kinetics (80 min) and exceptional selectivity. Mechanistic studies reveal that the optimal electronegativity (χ = 1.65) of Zn 2+ endows it with superior Lewis acidity, facilitating enhanced charge transfer (Δq = 0.065 e − ) via Zn─O─U coordination, as demonstrated by combined XPS analysis and DFT calculations. This lower electronegativity of Zn 2+ promotes greater electron acceptance from U-O, yielding a robust binding energy ( E ads = −35.16 kcal·mol −1 ). This work establishes the modulation of central metal ions as a critical design paradigm for next-generation MOF adsorbents, positioning Zn-HHTP as a transformative material for high-efficiency radioactive wastewater remediation.
研究领域:
环境化学
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材料科学
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放射性废物治理
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配位化学
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理论与计算化学
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高影响因子
JOURNAL OF NANOPARTICLE RESEARCH
·
2023
·Vol. 25
·期 8
·1-11
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IF 2.5
Dong Qi Zheng,Huang Xin Yi,Huang Cheng
A composite luminescent material consisting of perovskite quantum dots (PQDs) and MOF-5 using an in-situ growth method. The preparation of MOF-5 as a growth template was achieved via hydrothermal synthesis, with the addition of CTAB/TMB as a stencil agent to facilitate the formation of pores with an appropriate size. Subsequently, CsPbBr 3 QDs were grown in situ on the MOF under mechanical grinding conditions. The prepared CsPbBr 3 @MOF-5 composite materials were characterized by various analytical techniques including BET, XRD, PL, TEM, SEM, and EDS. The results revealed that the average size of PQDs was only 4.9 nm, and the corresponding emission peak exhibited a blue shift of 11 nm. The photoluminescence intensity (PL) of CsPbBr 3 @MOF-5 was increased by 71% compared to the unmodified sample, and photoluminescence quantum yield (PLQY) of solid powder increased to 48%. This is due to the fact that MOF-5 reduces the surface defects of quantum dots. Additionally, the Significantly improved PQDs stability after compounding MOF, both at room temperature and under thermal stress. These findings highlight the potential of this synthetic strategy as a means of preparing ultra-small composite light-emitting materials, with promising applications in LED and optoelectronic devices.
研究领域:
材料科学
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光学
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高影响因子
MICROCHEMICAL JOURNAL
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2026
·
IF 5.2
Chenxuan Ai,Xueli Yang
MOF-derived ZnO and Au-ZnO materials were synthesized via a coprecipitation method. • The response value of 0.5 wt% Au-ZnO to 100 ppm n-butanol is 649.77 at 250 °C. • Response time is just one second, enabling real-time detection of n-butanol. • This sensor has a low detectable concentration, excellent selectivity and stability. N-butanol is a flammable volatile organic compound (VOCs) posing potential threats to human health and environmental quality, making its real-time detection critically important. Although Au-functionalized MOF-derived ZnO has been investigated for gas sensing, the influence of Au loading on surface-defect regulation and n-butanol sensing behavior remains insufficiently understood. Herein, porous ZnO rhombic dodecahedra derived from ZIF-8 were functionalized with controlled Au loadings of 0.25, 0.5, and 0.75 wt%. The optimized 0.5 wt% Au-ZnO sensor exhibited a response of 649.77 and a response time of 1 s towards 100 ppm n-butanol at 250 °C, with the response being approximately 3.6 times that of pristine ZnO. A measurable response of 1.41 was obtained at 50 ppb, representing the lowest experimentally verified concentration in this study. The sensor also demonstrated good selectivity, repeatability, and long-term stability. XPS analysis showed that the 0.5 wt% Au-ZnO sample possessed the highest relative oxygen-vacancy content of 34.8%. DFT calculations further suggested a stronger adsorption tendency of n-butanol on the Au-ZnO surface than on pristine ZnO. These results demonstrate that controlled Au loading provides a favorable balance among interfacial charge modulation, oxygen-vacancy regulation, catalytic activity, and adsorption-desorption kinetics. The dodecahedral structure of the MOF-derived ZnO confers high sensitivity to n-butanol on the sensor, providing uniform anchoring sites for gold nanoparticles (Au NPs). Through Schottky barrier modulation, catalytic effects and oxygen vacancy enhancement, the modification with Au NPs further improves the capture efficiency and signal amplification for n-butanol concentrations in the ppb range. Download: Download high-res image (231KB) Download: Download full-size image
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Small
·
2026
·
IF 12.1
Xilin Wang,Ming Yue,Rongjie Xia,Hongxiao He,Yanhe Xiao,Baochang Cheng,Shuijin Lei
2D layered transition metal thiophosphites (MPS 3 ) are promising high-capacity anodes for sodium-ion batteries (SIBs) but are plagued by poor conductivity and severe volume changes. To address these challenges, we report a corn-like multi-MPS 3 heterostructure engineered via a sophisticated MOF-on-MOF templating strategy. This unique architecture, comprising a FePS 3 /ZnPS 3 heterojunction and a conformal N-doped carbon (NC) coating, establishes an interfacial field and spatial confinement synergy that facilitates rapid ion/electron transport and ensures exceptional structural integrity. The designed FePS 3 -ZnPS 3 -C@NC anode delivers remarkable sodium storage performance: a high initial discharge capacity of 1294.5 mAh g −1 at 0.1 A g −1 and long cycling stability with 87.6% capacity retention after 1200 cycles at 2 A g −1 . Such superior performance is attributed to: (i) the elastic carbon coating, which effectively buffers mechanical strain and preserves structural stability; and (ii) the heterointerfacial synergy, which enhances charge carrier mobility and reaction kinetics. Ex situ characterizations unravel a multi-mechanistic sodium storage process, accounting for the high capacity. Density functional theory (DFT) calculations confirm that the built-in electric field at the FePS 3 /ZnPS 3 interface optimizes Na + adsorption energy and interfacial charge transfer. This study provides a generalizable design paradigm for high-performance anodes through the rational integration of architectural control and interfacial engineering.
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高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2026
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IF 9.6
Xueqing Xu,Menghao Zhou,Xiaorong Yang,Qiyun Mu,Nan Jin,Zihan Liu,Xuan Yang,Ziqiang Lei,Zhiwang Yang
Although MOF-derived materials are promising candidates for microwave absorption, precisely regulating their electromagnetic behavior through microstructure engineering remains a considerable challenge. Herein, a synergistic strategy integrating hollow hierarchical architectures with heteroatom doping is implemented to overcome this limitation. Hollow NiCo-BTC microspheres were employed as the precursor and subjected to calcination in the presence of melamine, which induced the in-situ growth of carbon nanotubes on the surface to form hierarchical hollow NiCo@NCNTs architectures. Subsequent sulfur doping via chemical vapor deposition (CVD) yielded NiCo@NCNTs/S composites with tunable sulfur contents. The hollow architecture significantly enhanced impedance matching and facilitated multiple scattering of microwave within the structure. The hierarchical nanostructures constructed abundant heterogeneous interfaces, effectively augmenting interfacial polarization. Crucially, the coexistence of surface sulfoxides, thiophenic sulfur, and structural defects synergistically modulates the electronic structure. This multi-faceted regulation elevates free electron density while introducing additional dipole and defect-induced polarization centers, thereby establishing an optimal equilibrium between conduction loss and polarization loss. Consequently, the optimized NiCo@NCNTs/S-5 composite exhibited exceptional microwave absorption performance, achieving a maximum reflection loss of −39.73 dB and an effective absorption bandwidth of 4.56 GHz with a thin thickness. This work elucidates a rational design paradigm for MOF-derived absorbers through hollow-hierarchical morphology control and heteroatom doping regulation, offering a viable pathway toward high-performance microwave absorption for practical applications. The integration of hollow hierarchical structure construction and sulfur doping enables precise modulation of the electromagnetic properties of the material. The hollow architecture optimizes impedance matching and triggers multiple microwave scattering, while the hierarchical nanostructures afford abundant heterogeneous interfaces to strengthen interfacial polarization. Sulfoxide groups, thiophene-type sulfur species and structural defects coexist on the material surface, synergistically tuning the electronic structure. This multidimensional regulation strategy elevates the free electron concentration and simultaneously introduces dipole and defect polarization centers, balancing conductive loss and polarization loss. The optimized NiCo@NCNTs/S-5 absorber achieves a minimum reflection loss (RL max ) of −39.73 dB and an effective absorption bandwidth (EAB) of 4.56 GHz at a thickness of 2 mm. Download: Download high-res image (209KB) Download: Download full-size image
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SEPARATION AND PURIFICATION TECHNOLOGY
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2026
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IF 9.1
Chao-Ying Gao,Yang Li,Wenbo Wang,Chenyu Liu,Jinghai Liu,Yang Yang
Developing heterogeneous catalysts capable of activating inert CO 2 under mild conditions remains a central challenge in sustainable chemistry. Herein, we report the rational design of a robust bimetallic platform, MOF-253-0.5(Cu/Ag), constructed by post-synthetic incorporation of synergistic Cu(II) and Ag(I) sites within the 2,2′-bipyridine pockets of the MOF-253 framework. The catalyst exhibits high turnover frequencies (TOF) of 260 h −1 under ambient conditions, ranking among the highest reports. It also maintains robust stability over 5 cycles, achieving a cumulative turnover number (TON) of 999.2. Even under diluted CO 2 conditions mimicking industrial flue gas, its catalytical activity remains largely unaffected. 1 H NMR mechanistic analysis was used to monitor the reaction processes. Comparative experiments with monometallic and pristine MOF confirm the superior performance of the bimetallic system, attributed to Cu/Ag synergy that activates both the C≡C bond and CO 2 . Furthermore, comprehensive density functional theory (DFT) calculations provided clear insights into the energetics and elementary steps of the catalytic cycles. This work highlights the power of site-isolated bimetallic MOFs in CO 2 chemical fixation.
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高影响因子
ACS Applied Nano Materials
·
2026
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IF 5.8
Chenyang Sun,Yi Yu,Yuqian Lu,Fengchao Wang,Jifeng Liu,Wanying Zhai,Xia Gao
The integration of detection and degradation capabilities within a single material presents a promising strategy for the management of antibiotic pollutants. Herein, a multifunctional graphitic carbon nitride (g-C3N4)-coupled metal–organic framework (MOF) nanocomposite (denoted as g-C3N4/MIL101) was designed as an all-in-one platform for the sensitive detection and efficient removal of tetracycline antibiotics (TCs). The material architecture combines a Z-scheme heterojunction for enhanced photo-Fenton activity, with Fe3+ sites that serve as specific recognition centers for TCs. This dual design enables the nanocomposite to function as a highly selective colorimetric sensor array, achieving simultaneous discrimination of multiple TCs and non-TC antibiotics. Furthermore, the specific coordination between Fe sites and TCs not only facilitates sensing but also promotes the subsequent degradation by preconcentrating the targets near catalytic centers. Under visible light, the system demonstrates efficient TC degradation with minimized energy and H2O2 input, driven by the enhanced charge separation of the Z-scheme heterojunction and the Fe-mediated Fenton-like process. Theoretical calculations confirm the Fe-node-mediated specific coordination toward TCs, as well as the reduced activation energy for O2 and H2O2 activation of this platform. This work provides a feasible design strategy for multifunctional coordination polymers in advanced environmental applications.
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高影响因子
Journal of Materials Chemistry A
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2025
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IF 9.5
Chang'an Wang,Zuoshuai Xi,Tao Ban,Zhiyuan Liu,Yibin Luo,Hongyi Gao,Ge Wang,Xingtian Shu
The fine design and regulation of the microenvironment surrounding active sites in metal–organic frameworks (MOFs) are crucial for optimizing electron distribution and enhancing oxygen activation, thereby achieving superior catalytic performance in epoxidation reactions. In this study, we focus on the synergistic modulation of the cobalt (Co) microenvironment in MOF-74 through the introduction of lanthanum (La) sites and defect engineering. The incorporation of rare-earth La species effectively redirects the electron density of Co sites, enhancing their oxygen activation capabilities. Additionally, the presence of coordination-unsaturated Co sites facilitates rapid electron transfer from active sites to substrates, promoting the generation of superoxide radicals. Notably, the Co0.50La0.50-MOF-74-4eq sample demonstrates exceptional molecular oxygen utilization and epoxidation performance, achieving a cyclohexene conversion of 92.2% with a selectivity of 93.9% for 1,2-epoxycyclohexane at 40 °C within 1 hour. Furthermore, this catalyst exhibits broad applicability across different substrates. Density functional theory calculations, complemented by in situ analysis, confirm that molecular oxygen activation occurs at Co sites while suppressing the allylic oxidation pathway, thus favoring the conversion of cyclohexene to epoxides. This work elucidates how strategically tailoring the electronic properties around catalytic sites can dramatically influence catalytic behavior in heterogeneous catalysis, providing new insights for the rational design of advanced catalysts.
研究领域:
催化化学
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材料科学
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Science China-Materials
·
2026
·Vol. 69
·期 6
·3312-3323
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IF 7.7
Yin Ruize,Liu Juan,Zhang Xiaohui,Wang Peinan,Lu Jiajie,Xiong Weiwei,Yuan Saisai,Zheng Fenfen,Zhang Junhao,Zhu Wenlei
Amorphous metal-organic frameworks (aMOFs), owing to their abundant defects and unsaturated coordination sites, have emerged as ideal precursors for investigating electrocatalytic reconstruction mechanisms. However, a systematic understanding of how different modulation strategies affect the reconstruction pathways of amorphous MOFs and thereby determine the nature of the final active species remains lacking. In this study, an amorphous MOF constructed from 3,4,9,10-pyrene-tetracarboxylic acid (PTA) was employed as a controllable precursor platform to systematically compare two classical strategies (doping and alloying) in terms of their effects on structural reconstruction and oxygen evolution reaction (OER) performance. The results reveal that doping promotes preferential reconstruction into Fe-rich (oxy)hydroxides with more exposed active sites, whereas alloying tends to yield Fe-Co mixed (oxy)hydroxides with limited site exposure. Benefiting from this difference, the doped system FeCo 0.05 -PTA exhibits outstanding OER activity under alkaline conditions, with overpotentials of only 208 and 248 mV at 50 and 100 mA cm −2 , respectively, and a low Tafel slope of 36.2 mV dec −1 . In situ Fourier transform infrared spectroscopy (FTIR) captures the OOH* intermediate, confirming that the reaction follows the adsorbate evolution mechanism; density functional theory (DFT) calculations further demonstrate that the doped system possesses the lowest free-energy barrier (Δ G = 0.59 eV) at the rate-determining step. This study underscores the decisive role of precursor design in this system, elucidates the distinct effects of doping and alloying on the reconstruction pathways and final properties of amorphous MOF-derived (oxy)hydroxides, and provides valuable insights for the design and mechanistic understanding of related electrocatalysts.
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高影响因子
Molecular Catalysis
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2021
·
IF 5.062
Yu-Yang Zhang,Mei-Li Zhou,Yan-Sai Bao,Ming Yang,Yong-He Cui,Da-Liang Liu,Qiong Wu,Lin Liu,Zheng-Bo Han
Metal-organic frameworks (MOFs) encapsuled metal nanoparticles (NPs) have great potential in catalysis, while their synergistic catalysis in the one-pot reaction is still a largely untapped area, and reports are very limited. Herein, Pd NPs were loaded on a zeolite-type MOF (MIL-101(Cr)-NH 2 ) via post-synthetic impregnation approach to form composites Pd@MIL-101(Cr)-NH 2 . In addition, the obtained dual-functional Pd@MIL-101(Cr)-NH 2 showed great catalytic performance (>99% yields) in the one-pot Sonogashira-Knoevenagel and Heck-Knoevenagel reactions. Furthermore, all characterization methods showed that catalyst with Pd-Brønsted base had high stability to avoid metal agglomeration, leaching, and still maintained high activity after 6 cycles under the same circumstances. These reactions had potential significance for the production of benzylmalononitrile derivatives with high economic benefits.
研究领域:
化学
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材料科学
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催化科学
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高影响因子
CHEMICAL ENGINEERING SCIENCE
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2022
·
IF 4.889
Xiaolu Tian,Yikun Yi,Zhendi Wu,Guangyu Cheng,Shentuo Zheng,Binren Fang,Tao Wang,Dmitry G. Shchukin,Feng Hai,Jingyu Guo,Mingtao Li
Although the low t Li + and fluid nature of ionic liquid electrolytes can lead to weakened rate capability and higher leakage risks, these challenges can be tackled by incorporating ILs into solid hosts with controlled properties. Herein, we designed a heterogeneous metal organic framework (MOF)/polymerized ionic network (PIN) core-shell composite as a porous host for IL N,N-diethyl-N-(2-methoxyethyl)-N-methylammonium bis(trifluoromethylsulphonyl)imide (DEME-TFSI). The PIN shell with abundant ionic structures exhibit nice compatibility with ILs to achieve high loading, while the MOF core has narrow nanopores to confine large anions in ILs and enhance Li + selectivity. The as-synthesized conductive solid electrolyte (HKUST@PIN-IL-Li) showed high IL loading, high ionic conductivity over 4 × 10 −4 S cm −1 at 25 °C and increased Li + transfer number (0.367) in comparison to hollow H-PIN-IL-Li and bare IL-Li electrolyte. Overall, our research demonstrates for the first time a novel MOF@PIN core-shell structure as a solid framework for IL with high battery performance.
研究领域:
材料科学
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能源存储
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高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Zixian Qin,Yuxiu Sun,Zhengqing Zhang,Chenxu Zhang,Chi Tang,Chenxu Geng,Zhihua Qiao
Oxygen/nitrogen (O 2 /N 2 ) separation is of great importance but faces huge challenges owing to their similar molecular size and close polarity. In this work, we construct a polymer of intrinsic microporosity (PIM-1) based mixed matrix membrane (MMM) for efficient O 2 /N 2 separation by using ZIF-8 as the sieving filler along with surface modification of o-carborane (o-CB) to strengthen selective N 2 adsorption fixation as well as polymer-filler interfaces. Markedly, the o-CB on the outer surface of ZIF-8 not only affords the requisite interfacial compatibility in molecular sieving MMMs, but also increases the diffusion difference between O 2 and N 2 by the preferential adsorption with N 2 molecules. This synergistic effect of molecular sieving and adsorption inhibition achieves efficient O 2 /N 2 diffusion differential separation. As expected, the optimal membrane with o-CB-ZIF-8 loading of 35 wt% exhibits an O 2 permeability of 796.5 Barrer and a mixed O 2 /N 2 selectivity of 8.9 with O 2 /N 2 (20:80, vol.) mixtures, exceeding the latest 2015 upper bound limits. Moreover, the according membrane module with o-CB-ZIF-8 loading of 20 wt% also displays moderate O 2 permeability of 391.7 Barrer and O 2 /N 2 selectivity of 5.5 under pressure of 1 bar. This work may provide a feasible platform for designing high-performance MOF-based membranes in air separations.
研究领域:
材料科学
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分离技术
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高影响因子
危险品化学品经营许可证（带存储）