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CARBOHYDRATE POLYMERS · 2026 · IF 12.5

Orange peel-derived pectin/cellulose nanofibril hydrogel reinforced by Eu-MOF for simultaneous adsorption and detection of levofloxacin

Yuting Zhang,Xinmiao Qi,Binzhen Liu,Liangkun Li,Xin Guo

Orange peel is an abundant polysaccharide-rich agro-industrial residue that is often discarded, causing resource loss and environmental burden. Here, we valorize orange peel-derived pectin into a mechanically robust and photostable fluorescent hydrogel (EuCPH) by embedding uniformly dispersed Europium-based metal-organic framework decorated cellulose nanofibril (Eu-MOF@CNF). The resulting red-emissive EuCPH enables simultaneous levofloxacin (LEV) capture and fluorescence sensing. EuCPH-4 exhibits an ultrahigh Langmuir capacity of 1388.6 mg g −1 and a low limit of detection (LOD) of 0.12 μg L −1 . Adsorption follows the Langmuir isotherm and pseudo-second-order kinetics, consistent with chemisorption-dominated uptake. EuCPH-4 retains 83.8% of its capacity after five cycles with negligible Eu leaching (<8 ppb) and sustains stable performance over ten fixed-bed regeneration cycles. With low-cost orange peel-derived pectin and wood-derived CNF, EuCPH can be produced at ~0.02 CNY g −1 , providing a scalable and economically viable hydrogel platform for antibiotic monitoring and remediation.

CAS / MDL: 7727-21-1 79-10-7
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ADVANCED FUNCTIONAL MATERIALS · 2026 · IF 19.9

Bioinspired Fiber-Based Moisture Electricity Generator Enabled by Bilayer Hydrogel and MOF Nanosheet Arrays for Self-Powered Sensing

Peng Luo,Yang-Biao Xue,Wu Bin,Lin-Feng Gu,Hai-Tao Jiang,Mei-kun Ke,Yi-Fei Xu,Zuo-Shan Wang,Min Zheng

The rapid expansion of wearable and portable electronics has driven increasing demand for fiber-based moisture electricity generators (FMEGs) capable of operating under ambient conditions. However, achieving efficient ion generation, directional transport, and charge separation simultaneously in fibrous architectures remains challenging due to the absence of coordinated structural design. Here, a hierarchical FMEG is constructed by integrating a bilayer hygroscopic hydrogel with vertically aligned zeolitic imidazolate framework-L (ZIF-L) nanosheet arrays via in situ growth and cyclic freeze-thaw assembly. The bilayer hydrogel establishes coupled water and proton concentration gradients to provide a sustained driving force for ion migration, while the ZIF-L nanosheet channels enable selective ion transport and improve interfacial charge regulation. Benefiting from this synergistic architecture, the device delivers an open-circuit voltage of ∼0.9 V and a power density of 82.3 µW cm −2 , while maintaining stable operation over 90 h under ambient conditions. Furthermore, the device can be woven into textiles to power electronic devices and enable self-powered finger motion encoding and respiration monitoring. This work provides a generalizable structural paradigm for constructing high-performance FMEGs for wearable energy harvesting and sensing systems.

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MICROCHIMICA ACTA · 2026 ·Vol. 193 ·期 7 ·458 · IF 5.4

Catalase-like activity of Co2+-MOF/CNTs nanocomposite for in situ electrochemical sensing of H2O2 in living cells

Zhou Yaqiu,Zhu Linlian,Li Mengwei,Yao Yi,Su Mengjie,Wu Zengqiang,Yu Chunmei

A flexible electrochemical sensing platform on the basis of carbon cloth modified with zeolite imidazole framework-67/carbon nanotubes nanocomposite with catalase-like activity was developed for in situ and real-time tracking of H 2 O 2 produced by living cells. The obtained sensor exhibits excellent electrochemical performance for detecting H 2 O 2 with a broad linear response range from 1 µM to 5.2 mM and a detection limit of 0.3 µM. Owing to the favorable biocompatibility and mechanical stability of the prepared electrodes, living cells can be proliferated well on their surfaces, thereby achieving in situ and real-time profiling of endogenous H 2 O 2 flux from normal and cancer cells. This work proposed a novel sensing platform for extracellular analysis, providing an innovative tool for the dynamic monitoring of biomarkers generated by cellular metabolism in cell biology. Graphical abstract The alternative text for this image may have been generated using AI.

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ACS Catalysis · 2026 ·Vol. 16 ·期 16 ·16350-16361 · IF 13.6

Engineering Metal-to-Metal Charge Transfer in Bimetallic CoFe-MOF-74 for Efficient Solar-Driven Photocatalytic Nitrogen Fixation

Sun Qiufan,Zhu Yuxiang,Zhang Yuanzheng,Ren Hanjie,Chen Yiyang,Zhong Xiang,Xu Sai,Cui Entian,Liang Yuhang,Yao Jianfeng

Bimetallic engineering in metal−organic frameworks (MOFs) offers a powerful strategy to enhance photocatalytic nitrogen fixation by optimizing electronic structure and facilitating directional charge transfer. This work reports a rational design of CoM-MOF-74 (M = Fe, Cd, Mg) catalysts synthesized via a solvothermal method. Among them, CoFe 0.25 -MOF-74 (Co:Fe = 4:1) microrods deliver the best performance, achieving an ammonia production rate of 120 μmol g cat −1 h −1 with an apparent quantum efficiency of 1.63% at 420 nm. The catalyst sustains high activity under outdoor sunlight and remains effective in multiple water environments. Mechanistic studies reveal that Fe incorporation alters the coordination environment while enabling synergistic Fe→Co charge transfer. This cooperative effect strengthens N 2 activation at the neighboring Co sites and concurrently suppresses the competing hydrogen evolution reaction. This work highlights metal-to-metal charge transfer in MOFs as a fundamental strategy for constructing efficient and durable photocatalysts for solar-driven ammonia synthesis.

CAS / MDL: 610-92-4 7782-61-8
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MICROCHEMICAL JOURNAL · 2026 · IF 5.2

Synergistic catalytic sensitization and oxygen vacancy engineering in MOF-derived Au-ZnO polyhedra for ultrahigh n-butanol sensing

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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JOURNAL OF MEMBRANE SCIENCE · 2026 · IF 8.8

Engineering interfacial transport channels in hybrid membranes via size-tunable MOF nanosheets for efficient aromatics/alkanes pervaporation separation

Honghao Su,Fusheng Pan,Siwei Wang,Han Zhang,Yuhang Guo,Hao Qi,Jing Huang,Zhijie Yuan,Zhanquan Zhang,Zhongyi Jiang

The energy-efficient separation of chemically similar aromatic/alkane mixtures is pivotal for modern molecular refining, yet polymeric membranes are perennially constrained by the permeability-selectivity trade-off. To circumvent this bottleneck, we report an interfacial engineering strategy utilizing size-tunable MOF (Cu-TCPP, TCPP: tetrakis (4-carboxyphenyl)porphyrin) nanosheets to engineer selective interfacial transport channels in hybrid membranes. By modulating the reaction time, the size-to-thickness ratio of the nanosheets was precisely regulated. Crucially, the sub-nanopores (0.38 nm) of Cu-TCPP preclude transport through intrinsic pore channels, thereby indicating that molecular transport preferentially occurs through MOF-polymer interfacial regions. This architecture establishes a synergistic mechanism of geometric exclusion and facilitated transport. Our results reveal that the extended diffusion pathways, dictated by the lateral sizes of the 2D nanosheets, significantly enhance geometric exclusion for n -heptane. Meanwhile, the abundant MOF active sites provide low-resistance transport channels for toluene through preferential interaction. Consequently, at an ultralow loading of 0.1 wt%, the optimized membrane achieved an exceptional flux (1170 g m −2  h −1 ) and a separation factor (6.17) for a toluene/ n -heptane mixture, with robust stability over 160 h. This work provides an effective approach for exploiting 2D nanomaterials to engineer interfacial transport channels for challenging molecular separations.

CAS / MDL: 617-84-5 64-17-5
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CONSTRUCTION AND BUILDING MATERIALS · 2026 · IF 8.9

Hydrophobic MOF-modified graphite tailings–red mud mixtures for pavement bases: Heavy metal stabilization and drying shrinkage control

Jian Jia,Tao Liu,Mei-Ling Xu,Xiao-Jie Jiang,Li-Na Zhang,Xin Cheng

The utilization of industrial solid waste for the preparation of pavement base materials is an effective pathway toward sustainable development. However, graphite tailings exhibit a low plasticity index, leading to difficulties in compaction and a high tendency to crack when used in base layers. Although red mud can be introduced to improve plasticity, its large-scale application is restricted by the leaching risk of Pb(II). To overcome this contradiction, a hydrophobic metal–organic framework (MOF), MIL‑101‑NH 2 ‑H, was designed and synthesized in this study with the dual aim of stabilizing heavy metals and improving the drying shrinkage behavior of the composite base material. The results show that MIL-101-NH 2 -H exhibits excellent Pb(II) adsorption performance. The lead concentration in the leachate of the mixture treated with 0.1 wt% MIL-101-NH 2 -H is below 0.1 mg/L, meeting the Class IV groundwater standard for agricultural water in GB/T 14848–2017, while that of the control group (3.64 mg/L) far exceeds the limit. For engineering properties, the control group shows a 7 days UCS of 3.3 MPa and a drying shrinkage strain of 706 × 10 −6 . At 0.1 wt% dosage, MIL-101 and MIL-101-NH 2 present comparable mechanical and shrinkage behaviors to the control, whereas MIL-101-NH 2 -H increases the 7 days water-immersed UCS by 26.5% and reduces the drying shrinkage strain by 38.7%. This improvement is attributed to the hydrophobic functional groups of MIL-101-NH 2 -H, which hinder water transport, thereby suppressing the development of capillary tension and reducing the surface tension of the pore solution-fundamental factors in mitigating drying shrinkage. In addition, the chelation/coordination interaction between amino groups in MIL‑101‑NH 2 ‑H and Pb(II) provides abundant active adsorption sites, effectively decreasing the leaching of Pb(II) ions. Overall, this study indicates that MIL-101-NH 2 -H, as a multifunctional additive, can synergistically enhance the mechanical properties, volumetric stability, and environmental safety of solid waste-based pavement base materials, offering an innovative strategy for the high-value utilization of industrial solid waste.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2026 · IF 9.6

Synergistic sulfur regulation and interface engineering in MOF-derived hierarchical hollow NiCo@NCNTs/S for efficient microwave absorption

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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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Enhanced fluorescent multifunctional red-emitting CDs@Pr-MOF nanocomposite-embedded reinforcing electrospun films for monitoring packaged fruit freshness

Zhepeng Zhang,Ruiyun Zhou,Chen Wang,Jiangbo Li,Heera Jayan,Xiaobo Zou,Zhiming Guo

Enhanced R-CDs@Pr-MOF nanocomposite-embedded electrospun film was developed. • A superior hierarchical sensing system through lanthanide MOF medicated R-CDs. • Multifunctional Pr-MOF filler improved physical properties of packaging film. • Smartphone-assisted monitoring platform with self-developed APP was developed. • The S RGB of spinning film showed an excellent correlation with quality parameters. Fluorescent carbon dots (CDs)-based stimuli-responsive materials exhibited considerable promise for real-time monitoring of food quality and safety, but their poor stability and reliance on single-color changes have limited their broader application. Herein, red-emitting CDs (R-CDs) were immobilized onto Pr-based metal-organic framework (Pr-MOF) through electrostatic interactions. The Pr-MOF served as an adsorption scaffold for R-CDs while also contributing to the enhanced fluorescence responsiveness of the composite. Afterward, the R-CDs@Pr-MOF nanomaterial was incorporated into a blended matrix of polyvinylidene fluoride (PVDF) and polyvinylpyrrolidone (PVP) to fabricate spinning film responsive to sulfur-based gases. The incorporation of R-CDs@Pr-MOF into the PVDF/PVP matrix moderately improved the water resistance while enhancing the mechanical properties and thermal stability of the film. Importantly, the film exhibits a clear multicolor evolution in response to analyte, effectively overcoming the single-color limitation. The MOF effectively also mitigates the comprehensive performance deficiencies of R-CDs in the packaging film. Finally, a linear correlation equation between the S RGB -value of the MOFs-based film and the quality parameters of packaged durian was established using a self-developed APP (Optimal group equation: y = (0.101 ± 0.002) x + (32.365 ± 0.753); R 2  = 0.9924; LOD: 0.086–0.836; RSD: 1.91%). Hence, utilizing digital sensing platform in conjunction with dual-channel light response mode, a powerful approach for the rapid assessment of multiple quality parameters of packaged fruits was developed. Moreover, the R-CDs@Pr-MOF material facilitates accurate and non-invasive monitoring of fruit freshness, enhancing the precision and safety of intelligent packaging systems. Download: Download high-res image (569KB) Download: Download full-size image

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JOURNAL OF SEPARATION SCIENCE · 2026 ·Vol. 49 ·期 8 ·e70506 · IF 3.6

Aerogel Pore-Confined High-Loading MOF-199 for Micro-Solid-Phase Extraction of Methorphan Enantiomer in Biological Samples

Shaojing Huang,Suling Zhang,Huanhuan Yao,Zhiwei Huang,Dong Zhang,Ying Pan,Ting Lü,Hongting Zhao

Dextromethorphan is a widely used clinical antitussive, while its enantiomer, levomethorphan, is a controlled substance. Chiral separation and trace detection of the two enantiomers in biological samples are critically important. Herein, a micro-solid-phase extraction method coupled with enantioselective ultra-high performance liquid chromatography–mass spectrometry (UHPLC–MS) was proposed for the analysis of methorphan enantiomers. MOF-199/cellulose aerogel spheres fabricated via a facile in situ growth strategy were employed as the sorbent. By immersing Cu 2+ -rich cellulose aerogel in H 3 BTC (1,3,5-benzene tricarboxylate) solutions at varied concentrations, MOF-199/cellulose aerogels with tunable MOF-199 loadings (28.8%, 38.1%, 43.8%) were fabricated. Characterization results verified that MOF-199 was uniformly anchored in the pore channels of cellulose aerogel, which not only enhanced its specific surface area from 33.9 to 143.6 m 2 /g, but also mitigated the aggregation and poor recyclability of powdered MOF-199. The electrostatic attraction, chelation, and hydrogen-bonding interactions accounted for the effective extraction for dextro- and levo-methorphan. Under optimized conditions, this method exhibited favorable linearity in the range of 0.02–10.0 µg/L, with intra- and inter-day precisions of 4.9%–5.0% and 7.7%–9.7%, respectively. The limits of detection were 0.01–0.02 µg/L, respectively. Recoveries of dextro- and levo-methorphan from urine and hair samples were in the ranges of 88.9%–119.3% and 78.6%–115.7%, respectively. This method provides an effective strategy for the determination of methorphan enantiomers in biological samples, featuring rapid pretreatment, low organic solvent consumption, as well as facile operation.

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ENERGY & FUELS · 2026 ·Vol. 40 ·期 35 ·19600-19613 · IF 6

MOF-Derived SiO2 Confinement Strategy for Regenerable CrOx Catalysts in Moderate-Temperature Chemical Looping Oxidative Dehydrogenation of Ethylbenzene

Dai Xinrui,Lin Min,Wang Hua,Zhu Xing

High-loading chromium oxide catalysts are attractive for the dehydrogenation of ethylbenzene (EB) to styrene (ST), but the migration, aggregation, and irreversible restructuring of Cr species during high-temperature calcination and reaction often reduce active-site accessibility and accelerate catalyst deactivation. Herein, we report a reverse double-solvent strategy to construct a shape-preserving mesoporous SiO 2 framework within a Cr-MOF precursor, yielding a Cr@Si-6 catalyst in which Cr 3+ -rich nanoscale Cr 2 O 3 domains and highly dispersed chromate-like Cr 6+ species are stabilized within a silica cage-like network. This architecture integrates three complementary structural features: the homogeneous Cr distribution inherited from the MOF precursor, physical confinement by the mesoporous SiO 2 framework, and chemical anchoring with electronic regulation through Cr–O–Si interfacial linkages, thereby reconciling high Cr loading with high dispersion. Structural and spectroscopic characterizations show that the SiO 2 skeleton suppresses long-range Cr migration, aggregation, and the development of bulk-like Cr 2 O 3 domains, while Cr–O–Si interfacial coupling regulates the local coordination and electronic environment of the Cr species and strengthens their resistance to reduction-induced restructuring. In the chemical looping oxidative dehydrogenation of ethylbenzene (EB-CL-ODH), lattice oxygen participates in EB conversion during the reduction step, followed by regeneration of the reduced catalyst in a separate O 2 oxidation step. Cr@Si-6 achieves 80% EB conversion, 91% ST selectivity, and 73% ST yield at the moderate temperature of 450 ° C, outperforming directly calcined Cr-MOF-600 and conventional Cr/SiO 2 , while maintaining an ST selectivity above 90% with no obvious decay in EB conversion over 40 redox cycles. Postreaction XRD, Raman, TG/DTG, GC–MS/TIC, and SEM/EDS analyses further show that the confined Cr 2 O 3 /SiO 2 architecture is largely preserved and that reaction-induced carbonaceous and heavy organic deposits can be substantially removed through oxidative regeneration. This work demonstrates that integrating MOF-derived Cr distribution, mesoporous silica confinement, and Cr–O–Si interfacial regulation provides an effective strategy for constructing high-loading, highly dispersed, and regenerable Cr-based oxygen carriers for moderate-temperature EB-CL-ODH.

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JOURNAL OF MOLECULAR STRUCTURE · 2026 · IF 4.9

An ultramicropore Co-MOF constructed from mixed N/O-bifunctional organic ligand for highly efficient C2H6/C2H4 separation

Di-Ming Chen,Yi-Han Rong,Xue-Jing Zhang,Shao-Ming Fang

A novel ultramicroporous Co-MOF has been constructed using a mixed N/O-bifunctional ligand strategy. • It exhibits preferential C 2 H 6 adsorption over C 2 H 4 at 298 K, with a C 2 H 6 uptake of 3.9 mmol/g at 1 bar. • The IAST selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 2.0 at 1 bar, and the separation potential is 1.1 mmol/g. • GCMC simulations and DFT calculations reveal that multiple C–H···O and C–H···π interactions contribute to a higher binding energy for C 2 H 6 (−12.22 kcal/mol) than for C 2 H 4 . The separation of ethane (C 2 H 6 ) from ethylene (C 2 H 4 ) is a crucial but energy-intensive process in the petrochemical industry. Developing adsorbents that preferentially capture C 2 H 6 over C 2 H 4 (inverse selectivity) enables one-step production of high-purity C₂H₄. Herein, we report a novel ultramicroporous cobalt-based metal–organic framework, 1 , constructed from a mixed N/O-bifunctional ligand strategy using 4-(4-carboxyphenyl)-1,2,4-triazole (HCPT) and isonicotinic acid (HINA). Single-crystal X-ray diffraction reveals that 1 features one-dimensional rhombic channels with pore dimensions of 4.48–5.81 Å, fully coordinated Co(II) centers, and pore surfaces decorated with aromatic rings and uncoordinated O atoms. The activated framework ( 1a ) exhibits a Brunauer–Emmett–Teller surface area of 517 m²/g and shows preferential C 2 H 6 adsorption over C 2 H 4 at 298 K, with C 2 H 6 uptake of 3.9 mmol/g at 1 bar. Ideal adsorbed solution theory selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 1.81 at 298 K and 1 bar, and the separation potential is 1.1 mmol/g. Grand canonical Monte Carlo simulations and density functional theory calculations reveal that C 2 H 6 forms multiple C–H···O and C–H···π interactions with the framework, resulting in a higher binding energy (−12.22 kcal/mol) than C 2 H 4 (−10.61 kcal/mol). This work demonstrates that the mixed N/O-donor ligand strategy is effective for designing inverse-selective MOFs for energy-efficient ethylene purification. A novel ultramicroporous Co-MOF was constructed using a mixed N/O-bifunctional ligand strategy (HCPT and HINA). The activated framework features one-dimensional rhombic channels (4.48–5.81 Å), fully coordinated Co(II) centers, and pore surfaces decorated with aromatic rings and uncoordinated O atoms. It exhibits preferential C₂H₆ adsorption over C₂H₄ at 298 K, with a C₂H₆ uptake of 3.9 mmol/g at 1 bar. The IAST selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 2.0 at 1 bar, and the separation potential is 1.1 mmol/g. Grand canonical Monte Carlo simulations and density functional theory calculations reveal that C 2 H 6 forms multiple C–H···O and C–H···π interactions with the framework, resulting in a higher binding energy (−12.22 kcal/mol) than C 2 H 4 (−10.61 kcal/mol). This work demonstrates that the mixed N/O-donor ligand strategy is effective for designing inverse-selective MOFs for one-step ethylene purification. Download: Download high-res image (319KB) Download: Download full-size image

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