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SEPARATION AND PURIFICATION TECHNOLOGY · 2020 · IF 5.774

Boosted capture of volatile organic compounds in adsorption capacity and selectivity by rationally exploiting defect-engineering of UiO-66(Zr)

Rui Ou,Wenjian Zhu,Lulu Li,Xuyu Wang,Qian Wang,Qiang Gao,Aihua Yuan,Jianming Pan,Fu Yang

The great challenge in capturing harmful volatile organic compounds (VOCs) using Metal-Organic-Frameworks (MOFs) materials still rely on rationally modifying its appreciable microporous character in hydrostable structure. Defected structure in MOFs might be very beneficial for creating expected engineering adsorbent. In this study, defect-engineering UiO-66 via imparting acetic acid (HAc) as an interfering agent was successfully fabricated by a simple hydrothermal method. The physicochemical properties of the obtained materials were intensively ascertained and identified through a series of applicable characterizations. By the proper participation of tuning concentration of HAc (HAc/TAc = 24, molar ratio), the obtained adsorbent UiO-66–1.0HAc was endowed with the highest adsorption capacity for benzene (367.13 mg g −1 , 25 °C) in the known UiO-66 materials, which was 41.9% higher than that of the non-defected UiO-66. With a higher optimized added amount of HAc (HAc/TAc = 48, molar ratio), the adsorption capacity of UiO-66–2.0HAc to toluene achieved the highest capture values (410.21 mg g −1 , 25 °C), which boosted 93% compared with the original counterpart. This demonstrated improvement was ascribable to the imparted structural defect-engineering derived from the missing-linkers of MOFs increasing the unsaturated adsorption site and concomitant enlarged structural properties of the resultant material. By identifying the DIH (Difference in adsorption heat), the obtained maximum adsorption selectivity of UiO-66–1.0HAc to toluene/water was further enhanced to 64.4, which was 3.7 times the original UiO-66, owing to the existed defect-engineering in adsorbents, indicating the potential differential competitive adsorption effect for benzene and toluene under humid conditions.

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CHINESE JOURNAL OF CATALYSIS · 2018 · IF 3.525

Oxidative coupling of methane: MOx-modified (M = Ti, Mg, Ga, Zr) Mn2O3-Na2WO4/SiO2 catalysts and effect of MOx modification

Pengwei Wang,Xin Zhang,Guofeng Zhao,Ye Liu,Yong Lu

Mn 2 O 3 -Na 2 WO 4 /SiO 2 is considered as the most promising catalyst for the oxidative coupling of methane (OCM) process; however, it only has a better catalytic performance over 800 °C. To improve its low-temperature performance, an attempt has been made to modify the Mn 2 O 3 -Na 2 WO 4 /SiO 2 catalyst using TiO 2 , MgO, Ga 2 O 3 , and ZrO 2 . Among the synthesized catalysts, the TiO 2 -modified Mn 2 O 3 -Na 2 WO 4 /SiO 2 catalyst shows markedly improved low-temperature OCM performance, achieving a high CH 4 conversion of ~23% and a good C 2 -C 3 selectivity of ~73% at 700 °C (the catalyst bed temperature), along with promising stability for at least 300 h without signs of deactivation. In comparison with the unmodified Mn 2 O 3 -Na 2 WO 4 /SiO 2 catalyst, the TiO 2 modification results in significant improvement in the low-temperature activity/selectivity, whereas the MgO modification has almost no impact and the Ga 2 O 3 and ZrO 2 modifications have a negative effect. The X-ray diffraction (XRD) and Raman results reveal that the formation of a MnTiO 3 phase and a MnTiO 3 -dominated catalyst surface is crucial for the improvement of the low-temperature activity/selectivity in the OCM process.

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MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING · 2025 · IF 4.6

Construction of MWCNT-Bridged ternary S-scheme BiVO4/NH2-UiO-66 (Zr) heterojunction for enhanced visible-light photocatalytic degradation of tetracycline

Mingming Dong,Shuyong Yang,Peng Zhou,Yue Gao,Anshun Wang,Shenghui Tu

The accumulation of antibiotics in aquatic ecosystems poses a serious threat to the environment and to human health. Tetracyclines (TC) account for a significant proportion of antibiotic residues worldwide. In order to overcome the limitations of conventional degradation methods, we created a three-component S-scheme heterojunction consisting of BiVO 4 /MWCNTs@NH 2 -UiO-66 (Zr) using a two-step solvothermal process. This synergistic integration utilises: (i) MWCNTs as electron transport bridges; (ii) NH 2 -UiO-66 (Zr) for high TC adsorption (surface area of 931.86 m 2  g −1 ); and (iii) BiVO 4 for visible light harvesting. This architecture broadens light absorption, reduces charge recombination and enables dual-pathway Reactive Oxygen Species (ROS) generation. Under visible light, the optimised catalyst achieves 95.2 % TC degradation within 90 min–7.73 times faster than pristine BiVO 4 (k = 0.02721 vs. 0.00352 L mg −1 ·min −1 ). Radical trapping and EPR analyses confirm ·O 2 − and h + as the dominant species, while LC-MS reveals three degradation pathways. With 85.3 % activity retention after five cycles, this work provides a blueprint for the design of efficient, antibiotic-mineralising photocatalysts.

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FUEL · 2025 · IF 7.5

Experimental and DFT investigations of multiple active sites in Zr/Co-MOFs catalysts for tandem catalysis of styrene to styrene carbonate

Yuanyuan Cui,Gang Fu,Jiaxing Wen,Li Yang,Jiaxu Zhang,Jianmin Sun

The direct synthesis of cyclic carbonates from olefins involves a tandem process of olefin epoxidation and CO 2 cycloaddition, but designing a single catalyst with multiple active sites remains a challenge. In this work, a series of dual ligands quaternized Zr-based MOFs (Zr-Bpydc(Py + Br − )/CoTCPP-x, x = 1–5) were successfully synthesized by co-assembling 2,2′-bipyridine-5,5′-dicarboxylic acid (Bpydc) and cobalt(II) 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin (CoTCPP) with Zr 6 clusters, followed by post-synthetic quaternization to incorporate nucleophilic Br − sites. Among them, Zr-Bpydc(Py + Br − )/CoTCPP-4 exhibited the best catalytic performance under mild reaction conditions (80 °C, 1.0 MPa, 12 h), achieving styrene conversion of 94.2 % and styrene carbonate (SC) selectivity of 66.5 %, significantly outperforming most previously reported heterogeneous catalytic systems under cocatalyst-free conditions. The excellent catalytic activity was attributed to the synergistic effect among redox-active Co 2+ sites, Lewis acidic Zr 4+ and Co 2+ sites, Br − sites, and basic pyridyl sites. Importantly, the catalyst also demonstrated broad substrate applicability and good recyclability, with negligible activity loss over five consecutive cycles. Furthermore, density functional theory (DFT) calculations elucidated the energy profile and reaction pathway of the styrene oxidative carboxylation reaction, revealing the cooperative roles of multiple active sites in both epoxidation and CO 2 cycloaddition reactions. Therefore, this work proposes a strategy based on the synergy of multiple active sites for developing efficient and recyclable heterogeneous MOF catalysts for CO 2 conversion.

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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Selective purification of polymer-grade succinic acid from fermentation broths using a designed type III porous liquids [diOTMG]Cl@Zr-bptc

Jiahui Li,Fulin Li,Yunzheng Li,Yuqing Wan,Xingran Xu,Xiang Zou

[diOTMG]Cl@Zr-bptc porous liquid (PL) was successfully prepared. • PL enhanced succinic acid yield 8.71-fold compared to organic amine. • 99.98% pure succinic acid was obtained by PL extraction and crystallization. • Carboxylic acids are separated via affinity and molecular size differences. Global environmental deterioration and plastic pollution drive the demand for biodegradable polymers, which rely on ultrapure monomer, such as succinic acid (SA). However, current bio-SA purification suffers from low purity (94–98%) and complex multistep processes due to similar affinity of homologues. Here, we introduce a type III porous liquid (PL) composed of ionic liquid [diOTMG]Cl and metal-organic framework Zr-bptc for SA purification, achieving 99.98 ± 0.01 wt% SA purity with 84.15% yield after crystallization. This represents an 8.71-fold yield increase in yield and 6.55-fold improvement in selectivity over tri-n-octylamine. Laboratory-scale assessment confirms the PL solution as a sustainable process. Mechanistically, carboxylic acids are extracted synergistically through hydrogen bonding/anion exchange, while Grand Canonical Monte Carlo (GCMC) simulations showed selective adsorption of acetic acid in Zr-bptc pores. Weak interactions and kinetic size sieving ensure high SA purity. This PL provides an efficient solution for producing polymer-grade monomers, addressing the long-standing challenge in fermented homologue separation. Download: Download high-res image (122KB) Download: Download full-size image

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APPLIED SURFACE SCIENCE · 2026 · IF 6.6

Experimental study and reaction mechanism of anti-poisoning of high KCl content in NH3-SCR over Zr(HPO4)2-based catalyst

Jiahao Wei,Gonggang Sun,Zheng Hong,Qi Wang,Xinbao Li

Catalysts for NH 3 selective catalytic reduction (NH 3 -SCR) suffer from severe alkali metal poisoning, particularly by potassium (K). In this study, a series of K-resistant zirconium phosphate supported CeO 2 -SnO 2 catalysts (CeSn/ZrPs) were prepared by a hydrothermal-impregnation method and the simulated poisoning process with K loading amounts ranging from 1 wt% to 10 wt% was achieved by impregnating the catalysts with a KCl solution. The catalyst that contained 20 wt% Ce and 1 wt% Sn exhibited excellent SCR activity and K-poisoning resistance. The NO conversion over the CeSn/ZrP catalyst achieved 91.6% at 350 °C after 5 wt% K poisoning, and even retained 80.2% when the K content was increased to 8 wt%. The resistance mechanism of CeSn/ZrP against K-poisoning was studied by a series of characterizations. The results demonstrate that CeSn/ZrP exhibits a high surface area, strong acidity and enhanced redox properties due to Sn doping. The abundant Brønsted acid sites provided by the zirconium phosphate support played a crucial role in resisting K poisoning. In-situ DRIFTS revealed that KCl poisoning primarily suppresses the SCR reaction by occupying acid sites and reducing NH3 adsorption. The abundant acid sites of CeSn/ZrP can ensure that the catalyst retains a certain NH 3 adsorption capacity under high KCl loading.

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ADVANCED FUNCTIONAL MATERIALS · 2026 · IF 19.9

Interfacial O-Cl Exchange via Transition Metal Oxide Fillers Boosts Performance and Cost-Efficiency in Zr-Based Chloride Li-Ion Conductors

Yuxin Gong,Mengyu Fu,Yingmin Jin,Yumeng Li,Ruifan Lin,Yong Zhang,Lei Lei,Ying Zhang,Changsong Dai,Yueping Xiong

Halide solid-state electrolytes (HSSEs), exemplified by low-cost Li 2 ZrCl 6 , exhibit high ionic conductivity and a wide electrochemical stability window, making them promising for all-solid-state batteries (ASSBs). Yet, optimizing HSSEs by elemental doping is either inefficient or costly, necessitating alternative approaches. Inspired by the filler-modified LiI-Al 2 O 3 system with fast-conductive interfacial percolation layer (IPL) and with regard to the underlying insufficient interfacial filler/electrolyte contact with Li 2 ZrCl 6 matrix, which hinders the IPL formation, the use of transition metal oxide Fe 2 O 3 is pioneered as a filler to generate oxygen vacancies and foster benign filler/electrolyte interfaces. At the Fe 2 O 3 /electrolyte interface, synchrotron X-ray adsorption spectra and electron energy loss spectra mapping reveal a distinctive O-Cl exchange reaction and improved interfacial contact. Density function theory, bond-valence site energy calculations, and finite-element simulations validate improved Li + migration via mitigated electrostatic confinement, reduced migration energy barriers, and spatially confined electric-field-accelerated IPLs. Benefiting from these merits, the ionic conductivity of the composite electrolyte surges from 0.4 to 2.15 mS cm −1 , with Li + migration activation energy reduced to 0.28 eV. Paired with the NCM811 cathode, the ASSB delivers 90% capacity retention over 1000 cycles at 0.5 C. This work offers a novel, cost-effective strategy for high-performance halide-oxide composite electrolytes from the counterintuitive perspective of nanofiller integration.

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SEPARATION AND PURIFICATION TECHNOLOGY · 2026 · IF 9.1

Electrospinning-hydrothermal synergistic synthesis of Zr/Al-MOF@PAN/PEI nanofiber membrane: toward efficient emulsion separation and simultaneous heavy metal removal

Yujia Zhang,Wanwan Peng,Tianmi Zhang,Daqing Wu,Yufei Suo,Chengyi Wang,Chunfang Huang,Yi He

Treating oily wastewater containing heavy metal ions is a major challenge for traditional membranes, mainly due to limited fouling resistance and versatility. Based on this, this paper develops a hydrophilic zirconium/aluminum bimetallic organic framework functionalized superhydrophilic nanocomposite fiber membrane (Zr/Al-MOF@PAN/PEI) for simultaneous separation of oil-water emulsion and heavy metal removal. This membrane has excellent hydrophilicity and underwater oleophobicity, with a WCA of 3.5° and UOCA of 150°. Surprisingly, this composite membrane also demonstrated excellent separation performance for various oil-in-water emulsions, with a penetration flux of up to 4990 L·m −2 ·h −1 , separation efficiency exceeding 99.99%, and stable separation performance maintained even after 20 separation cycle tests. Moreover, this composite membrane achieves outstanding heavy metal adsorption capacity, especially for Pb (II) adsorption at 210.86 mg g −1 , with a removal efficiency exceeding 99. 8%. Moreover, this composite membrane exhibits stable structural characteristics and excellent anti-fouling performance in a wide pH (3−11) range and high salinity environment, while also featuring high osmotic flux, excellent heavy metal adsorption capacity, and good recycling and regeneration performance, effectively solving the challenges of managing complex oily composite polluted wastewater. This work provides a simple method for manufacturing multifunctional membranes, offering a novel technical approach for efficient remediation of complex heavy metal-rich oily wastewater.

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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Trade-off between microwave absorption and mechanical properties of Core-Shell Zr-Si-C/O fibrous aerogels via phase transformation effect

Jinfeng Jiang,Wei Xia,Yu Feng,Weihua Gu,Weiwei Wang,Cao Wu,Wenbo Du,Yong Yang,Hailiang Deng,Yusuke Yamauchi

Ceramic fibrous aerogels are promising lightweight thermal insulators, yet concurrently enhancing mechanical robustness, acoustic attenuation and electromagnetic (EM) wave absorption remains challenging because these functions demand conflicting architectures. Here we introduce a phase-transition-driven multiphase evolution strategy in Si Zr crystals combined with a one-step thermally induced core–shell conversion. This approach enables coordinated regulation of the chemical states, dislocation density and oxygen-vacancy concentration in Zr Si ceramic fibers, and forms a heterogeneous “oxide shell (ZrO 2 /SiO 2 )-carbide core (SiC/ZrC)” within each fiber. The resulting interfacial enrichment and improved impedance matching synergistically strengthen the aerogel and boost EM dissipation. The obtained ZSCO fibrous aerogels deliver a compressive stress up to 255.73 kPa, a minimum reflection loss of −21.87 dB and an average sound absorption coefficient of 0.61. Mechanistic analysis reveals a thermally driven, multimodal regulation pathway for tailoring multifunctional ceramic fibers, offering a scalable route to aerogels for extreme environments.

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Journal of Materials Chemistry A · 2026 · IF 9.5

Multi Capture Site Design in a Bifunctional Zr-MOF for Broad Spectrum and Efficient Removal of Short and Long Chain PFAS

Qiang Bi,Shiping Zhao,Yumiao Zhang,Cai Zhang,Kechun Wang,Jingfeng Tian,Yi Zhao,Juanqin Xue

The escalating threat of per and polyfluoroalkyl (PFAS) substances to human health and the ecological environment has intensified the need for advanced porous adsorbents. Herein, we report a series of mono and bifunctionalized MOF 808 materials grafted with fluoroalkyl and amino groups, systematically evaluating the contribution of the trifluoromethylalanine (TFMA) moiety toward broad spectrum PFAS uptake. Batch adsorption experiments reveal exceptional capacities of MOF 808 TFMA for perfluorooctanoic acid (PFOA) and perfluorobutanoic acid (PFBA), reaching 1558.3 and 605.4 mg g-1, respectively, with equilibration achieved within 30 minutes. Over 85% removal efficiency was maintained even at trace concentrations, alongside strong anti interference capability. The material retained 81% of its initial efficiency after five regeneration cycles using methanol–ammonia. Combined experimental characterization and density functional theory (DFT) calculations elucidate a multi synergistic site mechanism: amino enabled hydrogen bonding and electrostatic interactions dominate short chain PFAS capture, while fluorophilic and hydrophobic interactions enhance long chain PFAS adsorption. Notably, we identify for the first time an “adsorption trough” for perfluorohexanoic acid (PFHxA), attributed to a pore size–molecular dimension critical matching effect (ΔS° < 0), providing a theoretical early warning for avoiding synergistic failure in adsorbent design. The bifunctional MOF 808 TFMA demonstrates outstanding PFAS removal performance in real wastewater, offering a foundational strategy for the rational design of next generation PFAS adsorbents.

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Metals · 2018 ·Vol. 8 ·期 7 ·481 · IF 1.704

Effect of Silicon on the Microstructure and Performance of the New Binary Deep Eutectic Ti–Cu–Zr–Ni-Based Filler Metal

He Gao,Fuxiang Wei,Yanwei Sui,Jiqiu Qi,Yezeng He,Qingkun Meng

This study designed (Ti0.55Cu0.20Zr0.15Ni0.10)1−xSixamorphous alloys based on binary deep eutectics and examined the effect of silicon (Si) on the amorphous forming ability of the filler alloys. The results show that a certain amount of Si added to the filler metals could improve the amorphous forming ability of the alloys. Under the same experimental conditions, the Ti0.55Cu0.20Zr0.15Ni0.10filler metal with 0.5 wt % Si had the strongest amorphous forming ability compared to the other filler alloys containing different amounts of Si; its reduced glass transition temperature (Trg) was 0.5554, and its supercooled liquid phase region width (∆Tx) reached 60 °C. The (Ti0.55Cu0.20Zr0.15Ni0.10)99.5%Si0.5%filler metal designed in these experiments presented good amorphous forming ability and wettability. The brazed joint of SiC and TC4 obtained with this amorphous filler metal showed a shear strength of 102 MPa, indicating an increase of 122% compared to the brazed joint obtained with the filler metal without Si.

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JOURNAL OF ALLOYS AND COMPOUNDS · 2026 · IF 6.3

Bismuth oxyhalide modified bimetallic Ce/Zr-MOF to construct Z-scheme heterojunction for enhanced visible light photocatalytic degradation of typical antibiotics

Haicheng Liu,Wenhao Zhang,Chuang Zhang,Shuwen Wang

The rapid recombination of photogenerated charge carriers is a major challenge for photocatalysts. In this study, a novel Z-scheme heterojunction photocatalyst was synthesized via a hydrothermal method by coupling bimetallic Ce/Zr-NH 2 -UiO-66 (CNU) with solid solution of BiOCl 0.7 I 0.3 (Bi-0.3) for ciprofloxacin (CIP) degradation. The catalyst combines the excellent charge separation ability of Ce/Zr bimetallic metal organic framework (MOF) with the broad light absorption of solid solution of bismuth oxyhalide, achieving outstanding photocatalytic performance under visible light. The characterization results demonstrate that the formation of the Z-scheme heterojunction significantly enhances the material's visible light absorption and promotes efficient electron-hole separation through the built-in electric field, thereby effectively suppressing the recombination of photogenerated charge carriers. Photoelectrochemical and radical trapping experiments further demonstrated excellent interfacial charge transfer and reactivity. The catalyst achieved a CIP removal efficiency of 90.06 ± 2.78 % within 90 min and exhibited good stability in various water matrices. The response surface methodology analyzed the interactions between key reaction parameters, while density functional theory (DFT) confirmed that the electron transfer mechanism follows a Z-scheme heterojunction. It also predicted the degradation pathway of CIP and identified the primary attack sites, along with evaluating the environmental toxicity of the intermediate products. This study provided new insights into the design of bimetallic MOF-based Z-scheme heterojunction and expands the application potential of photocatalysts for environmental remediation.

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