Representative Metal-organic Frameworks Research Articles

Adsorption of Humic Acid from Water Using Metal-Organic Frameworks (MOFs): An Effective Removal Strategy

The escalating presence of humic acid (HA) in aquatic systems poses significant ecological and potable water treatment challenges, altering the color, taste, and odor of water and fueling algal blooms that deplete oxygen levels to the detriment of aquatic life. Traditional techniques like coagulation-flocculation, membrane filtration, oxidation fall short in efficiency due to its small fraction of HA, Humic acids (HAs) can interact with various organic and inorganic substances, affecting their characteristics and behavior in water. These interactions can influence the efficiency of water treatment processes like adsorption and coagulation. Specifically, HAs may compete with other contaminants for treatment sites or alter the chemical conditions of the treatment processes, impacting their effectiveness. This thesis confronts the pervasive issue of HA contamination by leveraging the advanced properties of metal-organic frameworks (MOFs). In this work, four representative MOFs are synthesized and well characterized. Then, their capability to enhance coagulation processes in water for HA and HA-kaolin treatment are detailed evaluated. The findings from this research extend beyond academic curiosity, offering actionable insights for water treatment facilities and environmental management agencies. The synthesis of MOFs which are UiO-66(Zr), MIL-100(Fe), ZIF-8, and Al-fum. Each MOFs have been applied to remove HA by adsorption under different condition, effect of contact time, effect of initial pH, effect of adsorbent dosage. After adsorption experiment, MOF samples prepared to dry and went through characterization. Removal of HA by MOF adsorption showed UiO-66(Zr) and MIL-100(Fe) examined shortest reaching equilibrium state with 10-15 min, however, ZIF-8 and Al-fum gradually reached equilibrium state after 60 min. Among various pH conditions, UiO-66(Zr) and MIL-100(Fe) showed the highest adsorption capacity under acidic conditions, while ZIF-8 excelled at neutral pH, and Al-fum exhibited the highest adsorption capacity under both acidic and basic conditions. ZIF-8 has the highest adsorption capacity among the MOFs with capacity of 754 mg/g. MOF after adsorption samples went through characterizations and their remained characteristics indicating the adsorption not affected the structure of the MOFs.

Solvent-Induced Structural Rearrangement in Ultrasound-Assisted Synthesis of Metal-Organic Frameworks.

Metal-organic frameworks (MOFs) are crystalline extended structures featuring permanent porosity, assembled from metal ions and organic ligands, often synthesized by the solvothermal method (50-260°C, 12-72h). Here, an alternative synthetic approach-solvent-induced structural rearrangement in ultrasound-assisted synthesis is presented. Six representative Zn-based MOFs, each composed of distinct secondary building units, are synthesized within 2-180min consuming less solvent (>0.03m) at room temperature. It is observed that ultrasonication induces the construction of a coordination network, and subsequent solvent exchange triggers structural rearrangement to yield MOFs of high crystallinity and porosity. Furthermore, the scalability of this method is demonstrated through the bulk synthesis of MOF-5, MOF-74, ZIF-8, and MFU-4l within 90min. The initiation of nucleation through ultrasound and the subsequent transformation induced by solvent exchange offer an alternative method for efficiently synthesizing MOFs in bulk, potentially broadening their range of applications.

Removal of Humic Acid by UiO-66(Zr) and MIL-100(Fe) Metal-Organic Frameworks (MOFs) Adsorption

The escalating presence of humic acid (HA) in aquatic systems poses significant ecological and potable water treatment challenges, altering the color, taste, and odor of water and fueling algal blooms that deplete oxygen levels to the detriment of aquatic life. Traditional techniques like coagulation-flocculation, membrane filtration, oxidation fall short in efficiency due to its small fraction of HA. This study confronts the pervasive issue of HA contamination by leveraging the advanced properties of metal-organic frameworks (MOFs). In this work, two representative MOFs are synthesized and well characterized. Then, their capability for removal HA by adsorption process in water for HA treatment are detailed evaluated. The findings from this research extend beyond academic curiosity, offering actionable insights for water treatment facilities and environmental management agencies. The synthesis of MOFs which are UiO-66(Zr), MIL-100(Fe). Each MOFs have been applied to remove HA by adsorption under different condition. The effect of contacting time, initial pH, adsorbent dosage has been evaluated. After adsorption experiment, MOF samples prepared to dry and went through characterization. Removal of HA by MOF adsorption showed UiO-66(Zr) and MIL-100(Fe) examined rapid reaching equilibrium state with 10-15 min. Among various pH conditions, UiO-66(Zr) and MIL-100(Fe) showed the highest adsorption capacity under acidic conditions. MIL-100(Fe) achieves a higher maximum adsorption capacity than MIL-100(Fe). MOF after adsorption samples went through characterizations and their remained characteristics indicating the adsorption not affected the structure of the MOFs.

Greatly Intensified Guest Exchange Strategy for Highly-Efficient Activation of Metal-Organic Frameworks.

The preservation and accessibility of pores are prerequisites to the application of metal-organic frameworks (MOFs). Activation is a key step to eliciting rich features of pores, but it needs a repeated solvent-exchange process which is tedious and time/cost-consuming. Herein, a facile strategy for highly-efficient activation of MOFs utilizing rotating packed bedis proposed. With the tremendous enhancement of molecular mixing and mass transfer in high-gravity and strong-shearing surrounding, nine representative MOFs are completely activated within 2h without structural change. Compared with conventional process, this activation displays surprising efficiency by accelerating the diffusion of solvents and redissolution of residual reactants in the pores. The complete activation time can be significantly shortened by over 90%. As a proof-of-concept, the methane storage of as-activated UiO-66 is five times that of as-synthesized UiO-66. This strategy provides a potential platform with industrial worth for the activation of MOF materials with ultra-high efficiency and versatility.

Metal-organic framework-based mixed matrix membranes for gas separation: Recent advances and opportunities

The demand for carbon dioxide (CO2) emission mitigation has driven the scientific community to develop a viable strategy. Gas separation technology are considered as the most promising and effective carbon capture approach. The utility of mixed-matrix membranes (MMMs) for selective gas separation has prompted a paradigm shift from conventional methods towards more efficient and sustainable processes. Metal-organic frameworks (MOFs), with high porosity, surface area, and structural tunability, are identified as suitable fillers in MMMs. Their application in carbon capture and gas separation processes could significantly reduce greenhouse gas emissions while maintain cost-effectiveness. Herein, this review presents the latest scientific and technological advancements in several types of representative MOF fillers, including Zeolitic Imidazolate Frameworks (ZIFs), Materials of Institute Lavoisier (MILs), University of Oslo (UiO), and Hong Kong University of Science and Technology (HKUST-1). It also highlights the current challenges associated with MOF fillers and outlines potential research opportunities for future improvements in the performance of MOF-based MMMs.

Recent Progress of Multiferroicity and Magnetoelectric Effects in ABX3‐Type Perovskite Metal–Organic Frameworks

AbstractMultiferroics have been investigated extensively in the last decades due to their wide range of applications in high‐density multistate storage, spintronics, and novel multifunctional magnetic–electric devices. One peculiar subgroup of multiferroic materials comprises 3D perovskite metal–organic frameworks (MOFs) with the general formula ABX3 (A = monovalent organic cation (such as an alkali metal or protonated amine), B = divalent metal cation, X = organic anion), for their coexistence of multiple orders (electric, magnetic, and elastic, et al.). The purpose of this review is to give a representative overview of the recent progress in the field of ABX3‐type multiferroic MOFs, containing 3d magnetic metal ions at B‐site. First, the perovskite multiferroic MOFs in which X‐site is occupied by formate, is examined and summarized. In particular, magnetoelectric coupling effects, such as electric‐field tuning of magnetic properties and magnetic field control of electric polarization, and pressure control of structural/magnetic/electric properties, are described and discussed. Then, it is focused on the structural phase transitions and ferroic orders by analyzing several representative multiferroic MOFs compounds with none‐formate. To motivate the researchers in this area, some promising topics that have not yet been fully explored in perovskite multiferroic MOFs are finally proposed.

Defect Engineering of Low-Coordinated Metal-Organic Frameworks (MOFs) for Improved CO2 Access and Capture.

While metal-organic frameworks (MOFs) are promising gas adsorbents, their tortuous microporous structures cause additional resistance for gas diffusion, thus hindering the accessibility of interior active sites. Here, we present a practical strategy to incorporate missing cluster defects into a representative low-coordinated MOFs structure, Mg-MOF-74, while maintaining the stability of a defect-rich structure. In this proposed method, graphene oxide (GO) is employed as modulator, and crystallization time is varied to promote defect formation by altering the nucleation and crystal growth processes. The best performing GO-modified Mg-MOF-74 sample (MOF@GO 40 h) achieved 18% and 15% improvement in surface area and total pore volume, respectively, over pristine Mg-MOF-74. The reduced diffusion resistance to gas flow translates to increased accessibility for gas molecules to active Mg adsorption sites inside the MOFs, leading to enhanced CO2 capture performance; the CO2 uptake quantity of MOF@GO 40 h arrives at 6.06 mmol/g at 0.1 bar and at 9.17 mmol/g at 1 bar and 25 °C, 19.29% and 16.37% higher, respectively, than that of the pristine Mg-MOF-74, with a CO2/N2 selectivity around 17.36% greater than that of pristine Mg-MOF-74. Our study demonstrates a facile approach for incorporating defects into MOFs systems with low coordination environments, thus expanding the library of defect-rich MOFs beyond the current highly coordinated MOF systems.

Metal-Organic Framework in Pharmaceutical Drug Delivery.

Metal-organic frameworks (MOFs) are porous, crystalline materials made up of organic ligands and metal ions/metal clusters linked by coordinative bonds. This large family is becoming increasingly popular for drug delivery due to their tuneable porosity, chemical composition, size and shape, and ease of surface functionalization. There has been a growing interest over the last decades in the design of engineered MOFs with controlled sizes for a variety of biomedical applications. Starting with the MOFs classification adapted for drug delivery systems (DDSs) based on the types of constituting metals and ligands. MOFs are appealing drug delivery vehicles because of their substantial drug absorption capacity and slow-release processes, which protect and convey sensitive drug molecules to target areas. Other guest materials have been incorporated into MOFs to create MOF-composite materials, which have added additional functionalities such as externally triggered drug release, improved pharmacokinetics, and diagnostic aids. Magnetic nanoparticles in MOFs for MRI image contrast and polymer coatings that increase blood circulation time are examples of synthetically adaptable MOF-composites. By including photosensitizers, which exert lethal effects on cancer cells by converting tumour oxygen into reactive singlet oxygen (1O2), metalorganic frameworks have been employed for photodynamic treatment (PDT) of malignancies among a multitude of nanosized therapies. Importantly, a variety of representative MOF applications are described from the perspectives of pharmaceutics, disease therapy, and advanced drug delivery systems. However, because of their weak conductivity, selectivity, and lack of modification sites, MOF materials' uses in electrochemical biosensing are restricted. MOF-based composites provide excellent electrical conductivity and robust catalytic activity by adding functionalized nanoparticles into MOF structures, which process benefits over single component MOFs.

Metal‐Organic Frameworks for C6 Alkane Separation

AbstractThe separation of alkane isomers is an important yet challenging process in the petrochemical industry. Being a crucial step to produce premium gasoline components as well as optimum ethylene feed, the current industrial separation by distillation is extremely energy intensive. Adsorptive separation based on zeolite is limited by insufficient adsorption capacity. Metal‐organic frameworks (MOFs) hold enormous promise as alternative adsorbents due to their diverse structural tunability and exceptional porosity. Precise control of their pore geometry/dimensions has led to superior performance. In this minireview, we highlight the recent progresses in developing MOFs for the separation of C6 alkane isomers. Representative MOFs are reviewed based on their separation mechanisms. Emphasis is put on the material design rationale for achieving optimal separation capability. Finally, we briefly discuss the existing challenges, possible solutions, and future directions of this important field.

Metal-Organic Frameworks for C6 Alkane Separation.

The separation of alkane isomers is an important yet challenging process in the petrochemical industry. Being a crucial step to produce premium gasoline components as well as optimum ethylene feed, the current industrial separation by distillation is extremely energy intensive. Adsorptive separation based on zeolite is limited by insufficient adsorption capacity. Metal-organic frameworks (MOFs) hold enormous promise as alternative adsorbents due to their diverse structural tunability and exceptional porosity. Precise control of their pore geometry/dimensions has led to superior performance. In this minireview, we highlight the recent progresses in developing MOFs for the separation of C6 alkane isomers. Representative MOFs are reviewed based on their separation mechanisms. Emphasis is put on the material design rationale for achieving optimal separation capability. Finally, we briefly discuss the existing challenges, possible solutions, and future directions of this important field.

In situ fabrication of MIL-68(In)@ZnIn2S4 heterojunction for enhanced photocatalytic hydrogen production.

Metal-organic frameworks (MOFs), as a class of semiconductor-like materials, are widely used in photocatalysis. However, the limited visible light absorption and poor charge separation efficiency are the main challenges restricting their photocatalytic performance. Herein, the type II heterojunction MIL-68(In)@ZIS was successfully fabricated by in situ growth of ZnIn2S4 (ZIS) on the surface of a representative MOF, i.e. MIL-68(In). After composition optimization, MIL-68(In)-20@ZIS shows an extraordinary photocatalytic hydrogen production efficiency of 9.09 mmol g-1 h-1 and good photochemical stability, which far exceeds those of most photocatalysts. The hierarchical loose structure of MIL-68(In)-20@ZIS is conducive to the adsorption of reactants and mass transfer. Meanwhile, a large number of tight 2D contact interfaces significantly reduce the obstruction of charge transfer, paving the way for high-perform photocatalytic hydrogen evolution. The experimental results demonstrate that the MIL-68(In)@ZIS heterojunction achieves intensive photoresponse and effective charge separation and transfer benefiting from unique charge transport paths of a type II heterojunction. This study opens an avenue toward MOF-based heterojunctions for solar energy conversion.

Efficient Propylene/Ethylene Separation in Highly Porous Metal-Organic Frameworks.

Light olefins are important raw materials in the petrochemical industry for the production of many chemical products. In the past few years, remarkable progress has been made in the synthesis of light olefins (C2-C4) from methanol or syngas. The separation of light olefins by porous materials is, therefore, an intriguing research topic. In this work, single-component ethylene (C2H4) and propylene (C3H6) gas adsorption and binary C3H6/C2H4 (1:9) gas breakthrough experiments have been performed for three highly porous isostructural metal-organic frameworks (MOFs) denoted as Fe2M-L (M = Mn2+, Co2+, or Ni2+), three representative MOFs, namely ZIF-8 (also known as MAF-4), MIL-101(Cr), and HKUST-1, as well as an activated carbon (activated coconut charcoal, SUPELCO©). Single-component gas adsorption studies reveal that Fe2M-L, HKUST-1, and activated carbon show much higher C3H6 adsorption capacities than MIL-101(Cr) and ZIF-8, HKUST-1 and activated carbon have relatively high C3H6/C2H4 adsorption selectivity, and the C2H4 and C3H6 adsorption heats of Fe2Mn-L, MIL-101(Cr), and ZIF-8 are relatively low. Binary gas breakthrough experiments indicate all the adsorbents selectively adsorb C3H6 from C3H6/C2H4 mixture to produce purified C2H4, and 842, 515, 504, 271, and 181 cm3 g-1 C2H4 could be obtained for each breakthrough tests for HKUST-1, activated carbon, Fe2Mn-L, MIL-101(Cr), and ZIF-8, respectively. It is worth noting that C3H6 and C2H4 desorption dynamics of Fe2Mn-L are clearly faster than that of HKUST-1 or activated carbon, suggesting that Fe2M-L are promising adsorbents for C3H6/C2H4 separation with low energy penalty in regeneration.

A Series of Metal‐Organic Frameworks for Adsorption of Halogenated Volatile Organic Compounds

AbstractGiven the urgent demand for removing toxic vapours from the atmosphere, the employment of porous materials for the adsorption of halogenated volatile organic compounds has been of intense interest. In this respect, a series of isostructural metal‐organic frameworks (MOFs), M‐MOF‐184 (M=Mg, Co, Ni, Zn), was solvothermal synthesized and examined on adsorption of 1,2‐dichloroethane. Due to the structural features of Lewis acidic sites derived from the infinite metal‐oxo unit and basic sites from 2‐oxidobenzoate anions, accessibly hexagonal channels with an aperture size of 24 Å, and high porosities (BET surface areas>3000 m2 g−1), three M‐MOF‐184 (M=Mg, Co, Ni) materials revealed the high saturated capacity of 1,2‐dichloroethane at room temperature (> 236 cm3 g−1). Notably, the adsorption capacities of three M‐MOF‐184 (M=Mg, Co, Ni) frameworks for 1,2‐dichloroethane outperformed that of the porous materials including activated carbon and representative MOFs. Among this series, Co‐MOF‐184 showed the largest adsorption saturated capacity of 1,2‐dichloroethane (346 cm3 g−1 at 298 K) and highly isosteric heat of adsorption (40 kJ mol−1). By mean of ATR‐FTIR analysis, we determined the surface interactions between 1,2‐dichloroethane and the Co‐MOF‐184 and explore the important effects of the acidity and basicity properties and large pore structure on 1,2‐dichloroethane adsorption performance.

Particulate toxicity of metal-organic framework UiO-66 to white rot fungus Phanerochaete chrysosporium

Metal-organic frameworks (MOF) are emerging materials with fantastic properties and wide applications. The release of metal ions from MOF materials is usually regarded as the origin of soluble MOF toxicity. However, whether the stable MOF particulates would induce environmental hazards is not clear. Herein, we aimed to reveal the particulate toxicity of MOF materials using the insoluble UiO-66 as the representative MOF and Phanerochaete chrysosporium as the model microorganism. UiO-66 nanoparticles (NPs) were synthesized by solvothermal method and their diameter was 68.4 ± 8.5 nm. UiO-66 NPs were stable in the culture system and the dissolution rate of 500 mg/L group was 0.26% after 14 d incubation. UiO-66 NPs did not affect the fungus growth according to the fresh weight increases and unchanged dry weights. Fungus mycelia kept even at concentrations up to 500 mg/L. Ultrastructural observation showed that UiO-66 NPs did not enter the fungal cells, but slightly destroyed the cell wall. UiO-66 NPs inhibited the laccase activity and promoted the activity of manganese peroxidase. The overall impact on the decomposition activity of P. chrysosporium was low in dye coloration test and sawdust degradation assay. Meaningful oxidative stress was aroused by UiO-66 NPs, as indicated by the decreases of catalase, glutathione, and total superoxide dismutase, and the increases of H2O2. Our results collectively suggested that the MOF particulates could induce mild mechanical damage to fungi and the toxicity was low comparing to other instable MOF materials.

Advances and Applications of Metal-Organic Framework Nanomaterials as Oral Delivery Carriers: A Review.

Oral administration is a commonly used, safe, and patient-compliant method of drug delivery. However, due to the multiple absorption barriers in the gastrointestinal tract (GIT), the oral bioavailability of many drugs is low, resulting in a limited range of applications for oral drug delivery. Nanodrug delivery systems have unique advantages in overcoming the multiple barriers to oral absorption and improving the oral bioavailability of encapsulated drugs. Metal-organic frameworks (MOFs) are composed of metal ions and organic linkers assembled by coordination chemistry. Unlike other nanomaterials, nanoscale metal-organic frameworks (nano-MOFs, NMOFs) are increasingly popular for drug delivery systems (DDSs) due to their tunable pore size and easily modified surfaces. This paper summarizes the literature on MOFs in pharmaceutics included in SCI for the past ten years. Then, the GIT structure and oral drug delivery systems are reviewed, and the advantages, challenges, and solution strategies possessed by oral drug delivery systems are discussed. Importantly, two major classes of MOFs suitable for oral drug delivery systems are summarized, and various representative MOFs as oral drug carriers are evaluated in the context of oral drug delivery systems. Finally, the challenges faced by DDSs in the development of MOFs, such as biostability, biosafety, and toxicity, are examined.

Charge Separation by Creating Band Bending in Metal-Organic Frameworks for Improved Photocatalytic Hydrogen Evolution.

Metal-organic frameworks (MOFs) have been intensively studied as a class of semiconductor-like materials in photocatalysis. However, band bending, which plays a crucial role in semiconductor photocatalysis, has not yet been demonstrated in MOF photocatalysts. Herein, a representative MOF, MIL-125-NH2 , is integrated with the metal oxides (MoO3 and V2 O5 ) that feature appropriate work functions and energy levels to afford the corresponding MOF composites. Surface photovoltage results demonstrate band bending in the MOF composites, which gives rise to the built-in electric field of MIL-125-NH2 , boosting the charge separation. As a result, the MOF composites present 56 and 42 times higher activities, respectively, compared to the pristine MOF for photocatalytic H2 production. Upon depositing Pt onto the MOF, ∼6 times higher activity is achieved. This work illustrates band bending of MOFs for the first time, supporting their semiconductor-like nature, which would greatly promote MOF photocatalysis.

Design and prediction of metal organic framework-based mixed matrix membranes for CO2 capture via machine learning

Mixed matrix membranes (MMMs) based on metal organic frameworks (MOFs) have been extensively studied for carbon capture to combat global warming. Here we report the introduction of machine learning to get more insights. Random forest models are first trained by literature data on CO2/CH4 separation, which reveal the optimum MOF structure with pore size >1 nm and surface area of ∼800 m2 g−1. Then, representative MOFs are blended into Pebax-2533 and polymer of intrinsic microporosity-1 to fabricate MMMs. The membranes demonstrate CO2 separation performances that not only agree well with model prediction, but also exceed the 2008 Robeson upper bound. In addition, knowledge transfer from CO2/CH4 to CO2/N2 separations shows better agreement with literature data compared to direct modeling, so it enables fast and resource-saving machine learning. This work applies machine learning to solve domain-specific problems and may provide implications for other membrane development.

MOFSocialNet: Exploiting Metal-Organic Framework Relationships via Social Network Analysis.

The number of metal-organic frameworks (MOF) as well as the number of applications of this material are growing rapidly. With the number of characterized compounds exceeding 100,000, manual sorting becomes impossible. At the same time, the increasing computer power and established use of automated machine learning approaches makes data science tools available, that provide an overview of the MOF chemical space and support the selection of suitable MOFs for a desired application. Among the different data science tools, graph theory approaches, where data generated from numerous real-world applications is represented as a graph (network) of interconnected objects, has been widely used in a variety of scientific fields such as social sciences, health informatics, biological sciences, agricultural sciences and economics. We describe the application of a particular graph theory approach known as social network analysis to MOF materials and highlight the importance of community (group) detection and graph node centrality. In this first application of the social network analysis approach to MOF chemical space, we created MOFSocialNet. This social network is based on the geometrical descriptors of MOFs available in the CoRE-MOFs database. MOFSocialNet can discover communities with similar MOFs structures and identify the most representative MOFs within a given community. In addition, analysis of MOFSocialNet using social network analysis methods can predict MOF properties more accurately than conventional ML tools. The latter advantage is demonstrated for the prediction of gas storage properties, the most important property of these porous reticular networks.

Synthesis of Cu-BTC Metal-Organic Framework for CO2 Capture via Solvent-free Method: Effect of Metal Precursor and Molar Ratio

The Cu-BTC (Copper - 1,3,5-benzene tricarboxylate) is one of the representative metal organic frameworks (MOFs) that has shown outstanding performance for carbon dioxide (CO2) adsorption. However, its conventional synthesis duration is relatively long, and the process requires the addition of bulk amounts of organic solvents. Herein, an enhanced solvent-free synthesis strategy was demonstrated in this work for the Cu-BTC synthesis. For this enhanced method, Cu-BTC was synthesized in 3 hours by mechanically grinding the mixture of copper (Cu) metal precursor and BTC organic linker without using solvent. The as-synthesized Cu-BTC samples were analyzed using various characterization techniques to examine and confirm their properties. The thermal stability result revealed that the self-synthesized Cu-BTC could sustain high temperature up to 290℃. Among the samples synthesized at different mole ratios, the Cu-BTC sample with the Cu to BTC mole ratio of 1.5:1 showed the highest BET surface area and the most significant pore volume of 1044 m2 g–1 and 0.62 cm3 g–1, respectively. Its CO2 adsorption capacity was comparable with those fabricated using the solvent-based method, i.e., 1.7 mmol g–1 at 30℃ and 1 bar. The results also showed that the synthesized Cu-BTC exhibited regenerative ability up to five adsorption-desorption cycles.

Activation of peracetic acid by metal-organic frameworks (ZIF-67) for efficient degradation of sulfachloropyridazine

Peracetic acid (PAA)-based system is becoming an emerging advanced oxidation process (AOP) for effective removal of organic contaminants from water. Various approaches have been tested to activate PAA, while no previous researches reported the application of metal-organic frameworks (MOFs) materials for PAA activation. In this study, zeolitic imidazole framework (ZIF)-67, a representative MOFs, was facile synthesized via direct-mixing method at room temperature, and tested for PAA activation and sulfachloropyridazine (SCP) degradation. The as-synthesized ZIF-67 exhibited excellent performance for PAA activation and SCP degradation with 100% of SCP degraded within 3 min, owing to the specific MOFs structure and abundant Co2+ sites. The pseudo-first-order kinetic model was applied to fit the kinetic data, with rate constant k1 of ZIF-67 activated PAA system 34.2 and 156.5 times higher than those of conventional Co3O4 activated PAA and direct oxidation by PAA. Radical quenching experiments and electron paramagnetic resonance (EPR) analysis indicated that CH3C(O)OO• played a major role in this PAA activation system. Then, the Fukui index based on density functional theory (DFT) calculation was used to predict the possible reaction sites of SCP for electrophilic attack by CH3C(O)OO•. In addition, the degradation pathway of SCP was proposed based on Fukui index values and intermediates detection, which mainly included the S-N bond cleavage and SO2 extrusion and followed by further oxidation, dechlorination, and hydroxylation. Therefore, ZIF-67 activated PAA is a novel strategy and holds strong potential for the removal of emerging organic contaminants (EOCs) from water.