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Nanoporous materials are of great interest in many applications, such as catalysis, separation, and energy storage. The performance of these materials is closely related to their pore sizes, which are inefficient to determine through the conventional measurement of gas adsorption isotherms. Nuclear magnetic resonance (NMR) relaxometry has emerged as a technique highly sensitive to porosity in such materials. Nonetheless, streamlined methods to estimate pore size from NMR relaxometry remain elusive. Previous attempts have been hindered by inverting a time domain signal to relaxation rate distribution, and dealing with resulting parameters that vary in number, location, and magnitude. Here we invoke well-established machine learning techniques to directly correlate time domain signals to BET surface areas for a set of metal-organic frameworks (MOFs) imbibed with solvent at varied concentrations. We employ this series of MOFs to establish a correlation between NMR signal and surface area via partial least squares (PLS), following screening with principal component analysis, and apply the PLS model to predict surface area of various nanoporous materials. This approach offers a high-throughput, non-destructive way to assess porosity in c.a. one minute. We anticipate this work will contribute to the development of new materials with optimized pore sizes for various applications.

Hydrophobicity has proven fundamental in an inexhaustible amount of everyday applications. Material hydrophobicity is determined by chemical composition and geometrical characteristics of its macroscopic surface. Surface roughness or texturing enhances intrinsic hydrophilic or hydrophobic characteristics of a material. Here we consider crystalline surfaces presenting molecular-scale texturing typical of crystalline porous materials, e.g., metal-organic frameworks. In particular, we investigate one such material with remarkable hydrophobic qualities, ZIF-8. We show that ZIF-8 hydrophobicity is driven not only by its chemical composition but also its sub-nanoscale surface corrugations, a physical enhancement rare amongst hydrophobes. Studying ZIF-8's hydrophobic properties is challenging as experimentally it is difficult to distinguish between the materials' and the macroscopic corrugations' contributions to the hydrophobicity. The computational contact angle determination is also difficult as the standard "geometric" technique of liquid nanodroplet deposition is prone to many artifacts. Here, we characterise ZIF-8 hydrophobicity via: (i) the "geometric" approach and (ii) the "energetic" method, utilising the Young–Dupré formula and computationally determining the liquid–solid adhesion energy. Both approaches reveal nanoscale Wenzel-like bathing of the corrugated surface. Moreover, we illustrate the importance of surface linker termination in ZIF-8 hydrophobicity, which reduces when varied from sp3 N to sp2 N termination. We also consider halogenated analogues of the methyl-imidazole linker, which promote the transition from nanoWenzel-like to nanoCassie–Baxter-like states, further enhancing surface hydrophobicity. Present results reveal the complex interface physics and chemistry between water and complex porous, molecular crystalline surfaces, providing a hint to tune their hydrophobicity. [ABSTRACT FROM AUTHOR]

The unique catalytic properties of natural enzymes have inspired chemists to develop biomimetic catalyst platforms for the intention of retaining the unique functions and solving the application limitations of enzymes, such as high costs, instability and unrecyclable ability. Porous materials possess unique advantages for the construction of biomimetic catalysts, such as high surface areas, thermal stability, permanent porosity and tunability. These characteristics make them ideal porous matrices for the construction of biomimetic catalysts by immobilizing enzyme-mimic active sites inside porous materials. The developed porous biomimetic catalysts demonstrate high activity, selectivity and stability. In this feature article, we categorize and discuss the recently developed strategies for introducing enzyme-mimic active species inside porous materials, which are based on the type of employed porous materials, including metal-organic frameworks (MOFs), covalent organic frameworks (COFs), molecular sieves, porous metal silicate (PMS) materials and porous carbon materials. The advantages and limitations of these porous materials-based biomimetic catalysts are discussed, and the challenges and future directions in this field are also highlighted. [ABSTRACT FROM AUTHOR]

Metal-organic frameworks (MOFs) are crystalline materials characterized by their porous structures, formed through coordination bonding between metal ions/clusters and multidentate organic linkers. MOFs have emerged as a significant class of materials with applications in energy storage, CO2 adsorption, and catalysis. This study serves as a brief introduction to the currently available synthesis methods of MOFs, aimed at acquainting beginners in the field of chemical engineering with the ongoing developments in MOF research. The discussed synthesis methods encompass traditional solvothermal/hydrothermal approaches, microwave synthesis of MOFs, one-pot synthesis, MOF nanocomposites, isothermal synthesis, and fluid-fluid synthesis. Notably, the MOF/NH2/Fe3O4 combination exhibited enhanced adsorption capacity of 618 mg/g and retained an efficiency of over 90 %. This study displays a valuable technique for designing functional MOF hybrid composites. By combining MOFs with specific materials, numerous advantages can be achieved in the newly created compounds (MOF composites), including synergistic effects beneficial in catalytic applications, and overcoming the challenges associated with using bare MOFs. [ABSTRACT FROM AUTHOR]

Food safety issue is becoming an international challenge for human health owing to the presence of contaminants. In this context, reliable, rapid, and sensitive detecting technology is extremely demanded to establish food safety assurance systems. MOFs (Metal-organic frameworks) are a new type of porous crystalline material with particular physical and chemical characteristics presented in food safety requirements. (Bio)sensors driven MOF materials have emerged as a promising alternative and complementary analytical techniques, owing to their great specific area, high porosity, and uniform and fine-tunable pore buildings. Nevertheless, the insufficient stability and electrical conductivity of classical MOFs limit their utilization. Employing graphene-derived nanomaterials with high functional elements as patterns for the MOF materials not only improves the structural instability and poor conductivity but also impedes the restacking and aggregation between graphene layers, thus significantly extending the MOFs application. A review of MOFs-graphene-based material used in food contamination detection is urgently needed for encouraging the advance of this field. Herein, this paper systematically outlines current breakthroughs in MOF-graphene-based nanoprobes, outlines their principles, and illustrates their employments in identifying mycotoxins, heavy metal ions, pathogens, antibiotics, and pesticides, referring to their multiplexing and sensitivity ability. The challenges and limitations of applying MOF-graphene composite for precise and efficient assessment of food were also debated. This paper would maybe offer some inspired concepts for an upcoming study on MOF-based composites in the food security context. [ABSTRACT FROM AUTHOR]

Fast photoluminescence and scintillation with a Stokes shift larger than 1 eV is achieved in hetero‐ligand metal–organic framework (MOF) crystals comprising inorganic linking nodes and fluorescent conjugated ligands. By finely engineering the MOF composition with the use of ligands with strictly complementary emission and absorption properties and highly delocalized molecular electronic orbitals, the singlet excitons diffusion is enhanced through the ligand framework, fully exploiting both Förster and Dexter energy transfer mechanisms. This allows for the sensitization of energy acceptor ligand fluorescence by ultrafast non‐radiative energy transfer with a rate up to the THz range. This efficient antenna effect instantly activates the MOF scintillation with a Stokes shift as large as 1.3 eV in the blue spectral range, matching the highest sensitivity spectral window of the best photodetector available. This is obtained using a minimal doping level of the energy acceptor species, with a consequent elimination of emission re‐absorption that allows the achievement of a 500% increment of the MOFs scintillation efficiency and the detection of the radioactive krypton isotope 85Kr from the gas phase with an improved sensitivity compared with the reference material. [ABSTRACT FROM AUTHOR]

Metal-organic frameworks (MOFs) are highly attractive porous materials with applications spanning the fields of chemistry, physics, biology, and engineering. Their exceptional porosity and structural flexibility have led to widespread use in catalysis, separation, biomedicine, and electrochemistry. Currently, most MOFs are synthesized under equilibrium liquid-phase reaction conditions. Here we show a general and versatile non-equilibrium flame aerosol synthesis of MOFs, in which rapid kinetics of MOF formation yields two distinct classes of MOFs, nano-crystalline MOFs and amorphous MOFs. A key advantage of this far-from-equilibrium synthesis is integration of different metal cations within a single MOF phase, even when this is thermodynamically unfavorable. This can, for example, produce single-atom catalysts and bimetallic MOFs of arbitrary metal pairs. Moreover, we demonstrate that dopant metals (e.g., Pt, Pd) can be exsolved from the MOF framework by reduction, forming nanoclusters anchored on the MOF. A prototypical example of such a material exhibited outstanding performance as a CO oxidation catalyst. This general synthesis route opens new opportunities in MOF design and applications across diverse fields and is inherently scalable for continuous production at industrial scales. Metal-organic frameworks (MOFs) are typically synthesized in equilibrium liquid-phase reactions. Here, the authors have developed and present a general non-equilibrium flame aerosol method to produce nanocrystal, amorphous, and bi-metallic MOFs. [ABSTRACT FROM AUTHOR]

Metal–organic frameworks (MOFs) show captivating performances in many large‐scale applications including gas adsorption and separation, heat reallocation, water production, or remediation which can overcome important drawbacks of the conventionally used porous materials in the industry. This raises, therefore, the commercial interest in MOFs which brings the necessity to decrease the cost of their production, calling for the synthesis optimization from small‐scale to large‐scale. However, the commercial availability, yet very limited, is highly dependent on their production cost. Thus, to promote the commercial development and availability of MOFs, many steps can be taken. In this work, the state‐of‐art of the large‐scale production of MOFs can be first outlined, before discussing the criteria of greener MOF synthesis processes. Besides, a critical evaluation of the available synthesis routes for large‐scale production can be given, taking into consideration their cost, environmental impact, safety, and feasibility. Moreover, since there are strong limitations to the use in the powder form, the shaping procedures can thus be discussed briefly to outline the prospects of MOFs for different industrial applications. Finally, yet importantly, the perspective for MOFs commercialization can be highlighted with an emphasis on the necessity of techno‐economic analyses and life‐cycle assessments. [ABSTRACT FROM AUTHOR]

Metal–organic framework (MOF) materials are gaining significant interest in biomedical research, owing to their high porosity, crystallinity, and structural and compositional diversity. Their versatile hybrid organic/inorganic chemistry endows MOFs with the capacity to retain organic (drug) molecules, metals, and gases, to effectively channel electrons and photons, to survive harsh physiological conditions such as low pH, and even to protect sensitive biomolecules. Extensive preclinical research has been carried out with MOFs to treat several pathologies and, recently, their integration with other biomedical materials such as stents and implants has demonstrated promising performance in regenerative medicine. However, there remains a significant gap between MOF preclinical research and translation into clinically and societally relevant medicinal products. Here, the intrinsic features of MOFs are outlined and their suitability to specific biomedical applications such as detoxification, drug and gas delivery, or as (combination) therapy platforms is discussed. Furthermore, relevant examples of how MOFs have been engineered and evaluated in different medical indications, including cancer, microbial, and inflammatory diseases is described. Finally, the challenges facing their translation into the clinic are critically examined, with the goal of establishing promising research directions and more realistic approaches that can bridge the translational gap of MOFs and MOF‐containing (nano)materials. [ABSTRACT FROM AUTHOR]

Incorporating diverse components into metal–organic frameworks (MOFs) can expand their scope of properties and applications. Stratified MOFs (sMOFs) consist of compositionally unique concentric domains (strata), offering unprecedented complexity through partitioning of structural and functional components. However, the labile nature of metal‐ligand coordination handicaps achieving compositionally distinct domains due to ligand exchange reactions occurring concurrently with secondary strata growth. To achieve complex sMOF compositions, characterizing and controlling the competing processes of new strata growth and ligand exchange are vital. This work systematically examines controlling ligand exchange in UiO‐67 sMOFs by tuning ligand sterics. We present quantitative methods for assessing and visualizing the outcomes of strata growth and ligand exchange that rely on high‐angle annular dark‐field images and elemental mapping via scanning transmission electron microscopy‐energy dispersive X‐ray spectroscopy. In addition, we leverage ligand sterics to create 'blocking layers' that minimize ligand exchange between strata which are particularly susceptible to ligand exchange and inter‐strata ligand mixing. Finally, we evaluate strata compositional integrity in various solvents and find that sMOFs can maintain their compositions for >12 months in some cases. Collectively, these studies and methods enhance understanding and control over ligand placement in multi‐domain MOFs, factors that underscore careful tunning of properties and function. [ABSTRACT FROM AUTHOR]

Metal‐organic frameworks (MOFs) are robust, crystalline, and porous materials featured by their superior CO2 adsorption capacity, tunable energy band structure, and enhanced photovoltaic conversion efficiency, making them highly promising for photocatalytic CO2 reduction reaction (PCO2RR). This study presents a comprehensive examination of the advancements in MOFs‐based PCO2RR field spanning the period from 2011 to 2023. Employing bibliometric analysis, the paper scrutinizes the widely adopted terminology and citation patterns, elucidating trends in publication, leading research entities, and the thematic evolution within the field. The findings highlight a period of rapid expansion and increasing interdisciplinary integration, with extensive international and institutional collaboration. A notable emphasis on significant research clusters and key terminologies identified through co‐occurrence network analysis, highlighting predominant research on MOFs such as UiO, MIL, ZIF, porphyrin‐based MOFs, their composites, and the hybridization with photosensitizers and molecular catalysts. Furthermore, prospective design approaches for catalysts are explored, encompassing single‐atom catalysts (SACs), interfacial interaction enhancement, novel MOF constructions, biocatalysis, etc. It also delves into potential avenues for scaling these materials from the laboratory to industrial applications, underlining the primary technical challenges that need to be overcome to facilitate the broader application and development of MOFs‐based PCO2RR technologies. [ABSTRACT FROM AUTHOR]

The modern healthcare system strives to provide patients with more comfortable and less invasive experiences, focusing on noninvasive and painless diagnostic and treatment methods. A key priority is the early diagnosis of life-threatening diseases, which can significantly improve patient outcomes by enabling treatment at earlier stages. While most patients must undergo diagnostic procedures before beginning treatment, many existing methods are invasive, time-consuming, and inconvenient. To address these challenges, electrochemical-based wearable and point-of-care (PoC) sensing devices have emerged, playing a crucial role in the noninvasive, continuous, periodic, and remote monitoring of key biomarkers. Due to their numerous advantages, several wearable and PoC devices have been developed. In this focused review, we explore the advancements in metal–organic frameworks (MOFs)-based wearable and PoC devices. MOFs are porous crystalline materials that are cost-effective, biocompatible, and can be synthesized sustainably on a large scale, making them promising candidates for sensor development. However, research on MOF-based wearable and PoC sensors remains limited, and no comprehensive review has yet to synthesize the existing knowledge in this area. This review aims to fill that gap by emphasizing the design of materials, fabrication methodologies, sensing mechanisms, device construction, and real-world applicability of these sensors. Additionally, we underscore the importance and potential of MOF-based wearable and PoC sensors for advancing healthcare technologies. In conclusion, this review sheds light on the current state of the art, the challenges faced, and the opportunities ahead in MOF-based wearable and PoC sensing technologies. [ABSTRACT FROM AUTHOR]

Porous materials have attracted considerable interest as water sorbents due to their potential in a broad range of water sorption‐related applications. Metal–organic frameworks (MOFs) are particularly notable for their high porosity and tunability. However, their limited hydrolytic stability often results in pore collapse, which significantly hinders their water sorption performance. To address this issue, an innovative design strategy based on reticular chemistry is essential to enhance structural stability and ensure efficient water sorption. Herein, a novel synthetic approach for constructing a merged‐net MOF structure using metallolinkers is introduced. Specifically, a porphyrin linker is employed to successfully synthesize a porphyrin‐based merged‐net MOF, UPF‐5. This MOF demonstrates significantly enhanced hydrolytic stability and improved water sorption performance while maintaining high pore volume. Additionally, the structure of UPF‐5 allows for the modification of accessible Zr6 nodes, enabling control over the pore environments and fine‐tuning the water sorption properties. This programmable synthetic strategy for porphyrin‐based merged‐net MOFs not only significantly enhances the structural stability for practical applications, including water sorption, but also advances reticular chemistry by discovering unprecedented topologies in MOF chemistry. [ABSTRACT FROM AUTHOR]

Post‐modification of porous materials with molecular modulators has emerged as a well‐established strategy for improving gas adsorption and separation. However, a notable challenge lies in maintaining porosity and the limited applicability of the current method. In this study, we employed the mechanochemical “Cage‐on‐MOF” strategy, utilizing porous coordination cages (PCCs) with intrinsic pores and apertures as surface modulators to improve the gas adsorption and separation properties of the parent MOFs. We demonstrated the fast and facile preparation of 28 distinct MOF@PCC composites by combining 7 MOFs with 4 PCCs with varying aperture sizes and exposed functional groups through a mechanochemical reaction in 5 mins. Only the combinations of PCCs and MOFs with closely matched aperture sizes exhibited enhanced gas adsorption and separation performance. Specifically, MOF‐808@PCC‐4 exhibited a significantly increased C2H2 uptake (+64 %) and a longer CO2/C2H2 separation retention time (+40 %). MIL‐101@PCC‐4 achieved a substantial C2H2 adsorption capacity of 6.11 mmol/g. This work not only highlights the broad applicability of the mechanochemical “Cage‐on‐MOF” strategy for the functionalization of a wide range of MOFs but also establishes potential design principles for the development of hybrid porous materials with enhanced gas adsorption and separation capabilities, along with promising applications in catalysis and intracellular delivery. [ABSTRACT FROM AUTHOR]

Gases are essential for various applications relevant to human health, including in medicine, biomedical imaging, and pharmaceutical synthesis. However, gases are significantly more challenging to safely handle than liquids and solids. Herein, we review the use of porous materials, such as metal‐organic frameworks (MOFs), zeolites, and silicas, to adsorb medicinally relevant gases and facilitate their handling as solids. Specific topics include the use of MOFs and zeolites to deliver H2S for therapeutic applications, 129Xe for magnetic resonance imaging, O2 for the treatment of cancer and hypoxia, and various gases for use in organic synthesis. This Perspective aims to bring together the organic, inorganic, medicinal, and materials chemistry communities to inspire the design of next‐generation porous materials for the storage and delivery of medicinally relevant gases. [ABSTRACT FROM AUTHOR]

A special setup was assembled to study solvent adsorption by metal organic frameworks (MOFs). A blank test was run to examine the noise level and the kinetic desorption curves for solvent molecules under different carrier gas (N2) flow rates were measured with the instrument error lying within a limited range. The desorption process could be adequately characterized by the transport of adsorbates in pores within MOFs. For the MOF samples NH2-MIL-101(Fe), HKUST-1, MIL-101(Cr), ZiF-67, and ZIF-8, the intercrystalline diffusion coefficient of ethanol, toluene, and propan-2-ol at 25, 35, and 45 °C were calculated and the activation energy was evaluated. The diffusion data obtained are in agreement with those reported earlier. [ABSTRACT FROM AUTHOR]

Utility of pyrazoles and their derivatives in constructing ordered porous materials with physicochemical characteristics such as chemosensors has undoubtedly created much interest in developing newer frameworks. A variety of pyrazole based chemosensors are known for their remarkable photophysical, pH sensitivity, solvatochromic, ion detection, high quantum yields and nonlinear optical behavior. Many of the transition metals have shown beneficial biological effects in biological systems. There is always a need of continuous monitoring to maintain an adequate range of all and specifically for the toxic ones like mercury. Pyrazoline nanoparticle probes have been reported for sensing/detection of Hg2+ions. Pyridinyl pyrazoline and benzimidazolyl pyrazole derived sensors are more selective and sensitive towards Zn2+and Fe3+ ions respectively. Pyrazole derived metal organic frameworks (MOF's) have been reported for environmental monitoring and biological imaging. Keeping in view of the enormous synthetic and biological importance of pyrazoles, herein, we are presenting an overview on applications of pyrazoles in transition metal chemosensors. [ABSTRACT FROM AUTHOR]

[Display omitted] Atmospheric water harvesting (AWH) that extact water from air is adorable technology which can release water stress in arid regions decentralized, however right now the high energy consumption hinders its development especially in low humidity condition. Improving humidity by adsorbing water through porous materials is an effective way to reduce AWH energy consumption. Metal organic frameworks (MOFs) and covalent organic frameworks (COFs), as a representative of new designable porous materials, is expected to solve the energy consumption problem in the practical application process of AWH. This review elucidates the energy-saving effects and design objectives of MOFs and COFs by analyzing the impact of adsorbents on energy consumption. Additionally, the manuscript delves into the principles of water adsorption in MOFs and COFs, subsequently reviewing the design methods for materials optimized for AWH performance. Lastly, the manuscript outlines the primary challenges and development recommendations for future energy-saving AWH solutions in arid regions. [ABSTRACT FROM AUTHOR]

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The electrochemical reduction of CO2 to high‐value carbon‐based chemicals provides a sustainable approach to achieving an artificial carbon cycle. In the decade, metal–organic frameworks (MOFs), a kind of porous crystalline porous materials featuring well‐defined structures, large surface area, high porosity, diverse components, easy tailorability, and controllable morphology, have attracted considerable research attention, serving as electrocatalysts to drive CO2 reduction. In this review, the reaction mechanisms of electrochemical CO2 reduction and the structure/component advantages of MOFs meeting the requirements of electrocatalysts for CO2 reduction are analyzed. After that, the representative progress for the precise fabrication of MOF‐based electrocatalysts for CO2 reduction, focusing on catalytic site design and microenvironment modulation, are systemically summarized. Furthermore, the emerging applications and promising research for more practical scenarios related to electrochemical CO2 conversion are specifically proposed. Finally, the remaining challenges and future outlook of MOFs for electrochemical CO2 reduction are further discussed. [ABSTRACT FROM AUTHOR]

Metal‐organic frameworks (MOFs) are promising next‐generation crystalline porous materials with exceptional structural, chemical, and application diversity. Since their discovery, the reticular tunability and physiochemical properties of MOFs have been studied and carefully manipulated to make them suitable for a wide variety of applications. After decades of research, these materials are moving from the benchtop to commercial, industrial‐scale production. Although MOFs are now widely explored, the overall environmental impacts of these emerging materials are still underexplored. In this work, the first example of overall assessment of ten industrially produced and widely explored MOFs considering 18 diverse environmental impact categories such as global warming potential, fossil resource scarcity, water consumption, ecotoxicity, etc. via cradle‐to‐gate life cycle assessment is presented. Importantly, this study presents a comprehensive comparison between different synthetic methods of each MOF and compiles the environmental impacts associated only with the individual “synthesis” or “washing” steps. This study highlights the critical importance of using of green solvents over organic to reduce the overall environmental footprint. By identifying the synthetic drawbacks associated with different methods, this work provides a blueprint for the sustainable design and required future development of MOF synthesis. [ABSTRACT FROM AUTHOR]

Metal-organic network-forming glasses are an emerging type of material capable of combining the modular design and high porosity of metal-organic frameworks and the high processability and optical transparency of glasses. However, a generalizable strategy for achieving both high porosity and high glass-forming ability in modularly designed metal-organic networks has yet to be developed. Herein, we develop a series of aluminum alkoxide glasses and monoliths by linking aluminum-oxo clusters with alcohol linkers. A bulky monodentate alcohol modulator is introduced during synthesis and act as both network plasticizer and pore template, which can be removed by the subsequent solvent exchange to give gas accessible pores. Glasses synthesized with the modulator template exhibit well-defined glass transitions in their as-synthesized form and high surface areas up to 500 m2/g after activation, making them among the most porous glassy materials. The aluminum alkoxide glasses also have optical transparency and fluorescent properties, and their structures are elucidated by pair-distribution functions, spectroscopic and compositional analysis. These findings could significantly expand the library of microporous metal-organic network-forming glasses and enable their future applications. By linking in situ formed aluminium-oxo clusters and multi-dentate alcohol linkers in the presence of a bulky pore-templating modulator, the authors synthesized porous and transparent aluminium alkoxide network-forming glasses. [ABSTRACT FROM AUTHOR]

Metal‐organic frameworks (MOFs) are promising porous materials that have huge potential for gas separation when put in the membrane configuration. MOFs have huge potential due to certain salient features of the MOFs such as excellent pore size, ease of tuning the pore chemistry, higher surface area, and chemical and thermal stabilities. MOFs have been explored for various gas separation and storage applications. This review discusses various approaches for fabricating MOFs‐based membranes for the separation of H2 gas from a variety of feeds having various gases CO2, CO, N2, and CH4 as impurities. The emphasis has been put on three types of membranes for H2 separation which include MOFs‐based hollow fibrous/tubular/disk membranes, MOFs‐based mixed matrix membranes (MMMs), and MOFs‐based stand‐alone membranes. In addition, various challenges such as reducing inhomogeneity between MOFs and polymeric matrices have also been discussed. Similarly, the approaches to successfully decorating MOFs on different supports in different configurations have been explained. The possible ways of improving the MOFs‐based membranes for H2 have also been discussed. [ABSTRACT FROM AUTHOR]

Resolving the detailed structures of metal organic frameworks is of great significance for understanding their structure-property relation. Real-space imaging methods could exhibit superiority in revealing not only the local structure but also the bulk symmetry of these complex porous materials, compared to reciprocal-space diffraction methods, despite the technical challenges. Here we apply a low-dose imaging technique to clearly resolve the atomic structures of building units in a metal-organic framework, MIL-125. An unexpected node structure is discovered by directly imaging the rotation of Ti-O nodes, different from the unrotated structure predicted by previous X-ray diffraction. The imaged structure and symmetry can be confirmed by the structural simulations and energy calculations. Then, the distribution of node rotation from the edge to the center of a MIL-125 particle is revealed by the image analysis of Ti-O rotation. The related defects and surface terminations in MIL-125 are also investigated in the real-space images. These results not only unraveled the node symmetry in MIL-125 with atomic resolution but also inspired further studies on discovering more unpredicted structural changes in other porous materials by real-space imaging methods. Resolving the structures of MOFs is significant for understanding their structure-property relation. Here, authors apply a low-dose imaging technique to resolve the atomic structures of building units in MOF MIL-125. A low-symmetry structure of MIL-125 is discovered by directly imaging the rotated Ti-O nodes, different from the unrotated one predicted in previous works. [ABSTRACT FROM AUTHOR]

Carbon capture from different CO2‐enriched sources demands the establishment of cleaner innovations to make strides in improving the existing worldwide environment. Nanoparticles of inorganic copper‐based metal–organic framework (Cu‐MOF) have been impregnated in varying loadings into an intrinsically microporous polymer (PIM‐1) to concoct mixed‐matrix membranes (MMMs) for carbon capture applications. The impacts of Cu‐MOF doping and temperatures of feed gas streams on morphology and carbon detainment capability of manufactured membranes were investigated. The carbon seizing capacity of different membranes was assessed by estimating permeabilities, selectivities, dissemination and dissolvability coefficients, facilitation proportions, and activation energies. Compared with the unfilled PIM‐1 membrane, impregnation of 30% Cu‐MOF into polymer significantly enhanced CO2 penetrability from 3740 to 6360 Barrer together with CO2/N2 and CO2/CH4 selectivity advancements from 27 to 34 and from 16 to 18, respectively. Performing gas penetration tests at elevated temperatures raised the CO2 penetrability of the membrane. The carbon seizing capability of MMMs lying over Robeson's bound signifies their potential in various cleansing operations. [ABSTRACT FROM AUTHOR]

Per‐ and polyfluoroalkyl substances (PFAS) are emerging as bioaccumulative and toxic water pollutants, posing a large threat to human and aquatic organisms. This threat is aggravated by their extreme persistence to common degradation methods. Adsorption is regarded as the most conventional method to treat these contaminants, however, existing sorbents present considerable limitations on performance. The development of more efficient PFAS adsorbents is therefore of urgent need. The class of metal‐organic frameworks (MOFs) can hold great promise for these purposes, featuring porous materials with high tailoring potential. Herein, a series of functionalized Zr‐MOFs have been designed with boosted capacities for the adsorption of short‐ and long‐chain perfluorinated carboxylic acids of environmental interest. The approach relies on chemistry‐based concepts to introduce targeted post‐synthetic modifications that promote PFAS···MOF interactions, specifically through coordinative bonding and hydrophobic effects. In particular, the framework TFA‐MOF‐808 (TFA = trifluoroacetic acid) displays the highest capture capacities reported for MOF materials in this pollutant class. Mechanistic studies, assisted by advanced synchrotron characterization techniques and theoretical calculations, support a ligand exchange process occurring during the adsorption phenomena. The results demonstrate the potential of this design approach in developing advanced PFAS sorbents with optimal performance. [ABSTRACT FROM AUTHOR]

Sensitive and selective detection of cancer biomarkers is crucial for early diagnosis and treatment of cancer, one of the most dangerous diseases in the world. Metal-organic frameworks (MOFs), a class of hybrid porous materials fabricated through the assembly of metal ions/clusters and organic ligands, have attracted increasing attention in the sensing of cancer biomarkers, due to the advantages of adjustable size, high porosity, large surface area and ease of modification. MOFs have been utilized to not only fabricate active sensing interfaces but also arouse a variety of measurable signals. Several representative analytical technologies have been applied in MOF-based biosensing strategies to ensure high detection sensitivity toward cancer biomarkers, such as fluorescence, electrochemistry, electrochemiluminescence, photochemistry and colorimetric methods. In this review, we summarized recent advances on MOFs-based biosensing strategies for the detection of cancer biomarkers in recent three years based on the categories of metal nodes, and aimed to provide valuable references for the development of innovative biosensing platform for the purpose of clinical diagnosis. [ABSTRACT FROM AUTHOR]

Semiochemicals can be used to manipulate insect behaviour for sustainable pest management strategies, but their high volatility is a major issue for their practical implementation. Inclusion of these molecules within porous materials is a potential solution to this issue, as it can allow for a slower and more controlled release. In this work, we demonstrate that a series of Zr(IV) and Al(III) metal‐organic frameworks (MOFs) with channel‐type pores enable controlled release of three semiochemicals over 100 days by pore size design, with the uptake and rate of release highly dependent on the pore size. Insight from grand canonical Monte Carlo simulations indicates that this is due to weaker MOF‐guest interactions per guest molecule as the pore size increases. These MOFs are all stable post‐release and can be reloaded to show near‐identical re‐release profiles. These results provide valuable insight on the diffusion behaviour of volatile guests in MOFs, and for the further development of porous materials for sustainable agriculture applications. [ABSTRACT FROM AUTHOR]

As an effective method to modulate the physicochemical properties of materials, crystal phase engineering, especially hetero‐phase, plays an important role in developing high‐performance photocatalysts. However, it is still a huge challenge but significant to construct porous hetero‐phase nanostructures with adjustable band structures. As a kind of unique porous crystalline materials, metal–organic frameworks (MOFs) might be the appropriate candidate, but the MOF‐based hetero‐phase is rarely reported. Herein, we developed a secondary building unit (SBU) regulating strategy to prepare two crystal phases of Ti‐MOFs constructed by titanium and 1,4‐dicarboxybenzene, i.e. COK and MIL‐125. Besides, COK/MIL‐125 hetero‐phase was further constructed. In the photocatalytic hydrogen evolution reaction, COK/MIL‐125 possessed the highest H2 yield compared to COK and MIL‐125, ascribing to the Z‐Scheme homojunction at hetero‐phase interface. Furthermore, by decorating with amino groups (i.e. NH2‐COK/NH2‐MIL‐125), the light absorbing capacity was broadened to visible‐light region, and the visible‐light‐driven H2 yield was greatly improved. Briefly, the MOF‐based hetero‐phase possesses periodic channel structures and molecularly adjustable band structures, which is scarce in traditional organic or inorganic materials. As a proof of concept, our work not only highlights the development of MOF‐based hetero‐phase nanostructures, but also paves a novel avenue for designing high‐performance photocatalysts. [ABSTRACT FROM AUTHOR]

A series of bimetallic cobalt-based MOF nanosheets were successfully prepared through simple hydrothermal progress, which shows superior performance for aqueous rechargeable cobalt-zinc batteries. [Display omitted] Aqueous rechargeable Zn-based batteries (ARZBs) have attracted increasing attention as favorable candidates for energy storage systems due to their high security, environmental friendliness, and abundance of electrode materials. At present, the most widely reported materials used in cobalt-zinc (Co-Zn) batteries are cobalt-based oxides and their derivatives, however, they still exhibit low actual capacities and unsatisfactory cycle lives. Metal-organic frameworks (MOFs), as a new class of porous materials with high specific surface area and adjustable pore size, have attracted considerable attention in the field of energy storage. Currently, pristine MOFs have currently few applications in Co-Zn batteries, and their performance is not ideal. Herein, we report a series of two-dimensional (2D) bimetallic CoM-MOF (M = Ni, Mn, Mg and Cu) nanosheets based on trimesic acid (H 3 BTC) ligand as cathodes for alkaline Co-Zn batteries via a simple one-pot hydrothermal synthesis. Among the synthesized MOFs, the CoNi-MOF nanosheets have the best performance, exhibiting a high reversible capacity of 344 mA h g−1 and demonstrating a good cycling life with 90 % capacity retention at 20 A g−1 after 1500 cycles. The energy storage mechanism is studied through a series of ex-situ characterizations. This study is of great importance in advancing the application of 2D pristine MOFs for high-performance Co-Zn batteries. [ABSTRACT FROM AUTHOR]

World production of dyes is estimated at more than 800,000 t·yr−1. The purpose of this research falls within the scope of the choice of an effective, local, and inexpensive adsorbent to remove dyes from wastewater. Adsorptive elimination of dyes by commonly accessible adsorbents is inefficient. The metal–organic frameworks (MOFs) are an important class of porous materials offering exceptional properties as adsorbents by improving separation efficiency compared to existing commercial adsorbents. However, its powder form limits its applications. One way to overcome this problem is to trap them in a flexible matrix to form a hierarchical porous composite. Therefore, in this work, we prepared MIL-100 (Fe) embedded in a cellulose matrix named MIL-100(Fe)/Cell, and used it as an adsorbent of methylene blue (MB) dye. According to the BET analysis, the specific surface area of the synthesized MOF is 294 m2/g which is related to the presence of the cellulose as efficient and green support. The structure of this composite is approximately hexagonal. Adsorption was studied as a function of contact time, adsorbent mass and pollutant load (concentration), and pH, and the effect of each of them on absorption efficiency was optimized. The MIL-100(Fe)/Cell was capable of removing 98.94% of MB dye with an initial concentration of 150 mg/L within 10 min at pH = 6.5 and room temperature. The obtained maximum adsorption capacity was 384.615 mg/g. The adsorption isotherm is consistent with the Langmuir models. The mechanism of MB adsorption proceeds through п-п and electrostatic interactions. [ABSTRACT FROM AUTHOR]

Hydrogen‐bonded organic frameworks (HOFs) are emerging porous materials that show high structural flexibility, mild synthetic conditions, good solution processability, easy healing and regeneration, and good recyclability. Although these properties give them many potential multifunctional applications, their frameworks are unstable due to the presence of only weak and reversible hydrogen bonds. In this work, the development history and synthesis methods of HOFs are reviewed, and categorize their structural design concepts and strategies to improve their stability. More importantly, due to the significant potential of the latest HOF‐related research for addressing energy and environmental issues, this work discusses the latest advances in the methods of energy storage and conversion, energy substance generation and isolation, environmental detection and isolation, degradation and transformation, and biological applications. Furthermore, a discussion of the coupling orientation of HOF in the cross‐cutting fields of energy and environment is presented for the first time. Finally, current challenges, opportunities, and strategies for the development of HOFs to advance their energy and environmental applications are discussed. [ABSTRACT FROM AUTHOR]

Temperature-induced sorption in porous materials is a well-known process. What is more challenging is to determine how the rate at which temperature is varied affects these processes. To address this question, we introduce a methodology called ‘‘cyclic thermo-ellipsometry’’ to explore the thermo-kinetics of vapor physisorption in metal–organic framework films. [ABSTRACT FROM AUTHOR]

Designing single‐component fluorochromic metal–organic frameworks (MOFs) with multiple stages presents a significant challenge in the field of functional and smart MOFs. In this study, this challenge is successfully addressed by designing and synthesizing a novel ligand called cyclooctatetrathiophene‐tetrapyridine (COTTTP), and incorporating it into 3D MOFs known as Zn/Cd‐COTTTP. By exploiting the intrinsic properties of COTTTP, specifically its ability to undergo geometry changes from a bent form to a more planar form, both COTTTP as an individual molecule and the resulting Zn/Cd‐COTTTP MOFs exhibit similar fluorochromic behavior. This behavior manifests as a color change from yellow to orange to red. Characterization techniques such as single crystal X‐ray diffraction, Fourier transform infrared spectroscopy, solid‐state UV–vis and near‐infrared spectroscopy, and X‐ray photoelectron spectroscopy are employed to investigate and confirm the geometry change of COTTTP within the MOF structures. Furthermore, the introduction of an auxiliary rigid ligand to the system is explored, which effectively restricts the geometry change of COTTTP and subsequently diminishes the fluorochromic behavior. This work sheds new light on the design and application of smart porous materials, particularly in the realm of single‐component fluorochromic MOFs. The successful incorporation of COTTTP and the understanding of its geometry change provide insights into the development of functional and responsive MOFs for various applications. [ABSTRACT FROM AUTHOR]

Porous materials that could recognize specific molecules from complex mixtures are of great potential in improving the current energy‐intensive multistep separation processes. However, due to the highly similar structures and properties of the mixtures, the design of desired porous materials remains challenging. Herein, a sulfonate‐functionalized metal–organic framework ZU‐609 with suitable pore size and pore chemistry is designed for 1,3‐butadiene (C4H6) purification from complex C4 mixtures. The sulfonate anions decorated in the channel achieve selective recognition of C4H6 from other C4 olefins with subtle polarity differences through C−H⋅⋅⋅O−S interactions, affording recorded C4H6/trans‐2‐C4H8 selectivity (4.4). Meanwhile, the shrunken mouth of the channel with a suitable pore size (4.6 Å) exhibits exclusion effect to the larger molecules cis‐2‐C4H8, iso‐C4H8, n‐C4H10 and iso‐C4H10. Benefiting from the moderate C4 olefins binding affinity exhibited by sulfonate anions, the adsorbed C4H6 could be easily regenerated near ambient conditions. Polymer‐grade 1,3‐butadiene (99.5 %) is firstly obtained from 7‐component C4 mixtures via one adsorption‐desorption cycle. The work demonstrates the great potential of synergistic recognition of size‐sieving and thermodynamically equilibrium in dealing with complex mixtures. [ABSTRACT FROM AUTHOR]

Cost‐effective and facile synthetic routes to organic ligands, along with porous materials that exhibit exceptional gas‐storage properties, promise significant industrial applications. Here, a two‐step synthesis of novel organophosphorus ligands without metal catalysts is reported. These ligands serve as versatile linkers for the construction of metal‐organic frameworks (MOFs) incorporating various metal ions, including zinc and copper. One of the zinc‐based MOFs demonstrates remarkable gas‐storage properties, with a hydrogen (H2) capacity exceeding 2.5 wt% at 77 K and 100 kPa as well as a carbon dioxide (CO2) capacity exceeding 20 wt% at 298 K and 100 kPa. Furthermore, this zinc‐based MOF can be synthesized through a solvothermal process on the gram scale that yields high‐quality single crystals. [ABSTRACT FROM AUTHOR]

Environmental pollution caused by organic effluents emitted by industry has become a worldwide issue and poses a serious threat to the public and the ecosystem. Metal–organic frameworks (MOFs), comprising metal-containing clusters and organic bridging ligands, are porous and crystalline materials, possessing fascinating shape and size-dependent properties such as high surface area, abundant active sites, well-defined crystal morphologies, and huge potential for surface functionalization. To date, numerous well designated MOFs have emerged as critical functional materials to solve the growing challenges associated with water environmental issues. Here we present the recent progress of MOF-based materials and their applications in the treatment of organic effluents. Firstly, several traditional and emerging synthesis strategies for MOF composites are introduced. Then, the structural and functional regulations of MOF composites are presented and analyzed. Finally, typical applications of MOF-based materials in treating organic effluents, including chemical, pharmaceutical, textile, and agricultural wastewaters are summarized. Overall, this review is anticipated to tailor design and regulation of MOF-based functional materials for boosting the performance of organic effluent remediation. [ABSTRACT FROM AUTHOR]

Development of metal-organic framework (MOF) films is of great importance to expand their applications. Herein, we report a facile and universal method of liquid-phase epitaxial (LPE) layer by layer (LBL) brushing approach for fabricating MOF films on various substrates in a high-throughput fashion. This MOF films preparation method offers a great prospective to cost-effectively construct films with short preparation time and little reagent consumption. Moreover, this LBL brushing approach has been implemented successfully to assemble various MOF films, including HKUST-1, zeolitic imidazolate framework-8 (ZIF-8), Cu(bdc), and Cu2(L)2P (L = bdc, ndc, and cam; P = dabco and bipy). Afterwards, the classic MOF HKUST-1 and ZIF-8 films were grown on sensor chip electrode and porous fiber support for good volatile organic compounds (VOCs) selective sensing and water purification applications. This study demonstrates that this LBL brushing preparation method can be employed to synthesize various MOF films with a variety of characteristics to realize their sensing and separation applications. [ABSTRACT FROM AUTHOR]

Nano metal–organic frameworks as an attractive new class of porous materials, are synthesized via metal ions and organic ligands. With their desirable properties of abundant pores, high specific surface areas, fully exposed active sites and controllable structures, nano MOFs are acknowledged to be one of the most vital materials in electrochemical energy storages. However, in their practical applications, nano MOFs are still confronted with various difficulties and challenges because of their low conductivity, poor stability, and other disadvantages. The selection and development of MOF composites, MOF–derived materials and modified MOFs might be beneficial to use as better electrode materials to greatly improve the electrochemical properties of energy storage devices. This paper mainly focuses on the recent developments of nano MOFs as prospective materials in electrochemical energy storage applications, including lithium–ion batteries (LIB), lithium–sulfur batteries (LSB), zinc–ion batteries (ZIB), and supercapacitors (SCs). Finally, the challenges faced by these kinds of energy storage devices are proposed, along with the current directions and prospect. [ABSTRACT FROM AUTHOR]

The conversion of the biomass into eco‐friendly fuels and chemicals has been extensively recognized as the essential pathway to achieve the sustainable economy and carbon neutral society. Lignin, as a kind of promising biomass energy, has been certified to produce the high‐valued chemicals and fuels. Numerous efforts have been made to develop various catalysts for lignin catalytic conversion. Both metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) belong to very important heterogeneous porous catalysts due to their regular porous structures, high specific surface area, and precisely tailored diversities. In the review, the first part focused on the catalytic conversion of lignin, lignin model compounds, and lignin derivatives using the pristine MOFs, functional MOF composites, and MOF‐derived materials. The second part summarized the catalytic conversion of lignin model compounds using pristine COFs and functional COF composites. The review here mainly concentrated on the design of the materials, screening of catalytic conditions, and explorations of the corresponded mechanisms. Specifically, (1) we summarized the MOF‐ and COF‐based materials for the effects on the catalytic transformation of lignin‐related substances; (2) we emphasized the catalytic mechanism of C–C and C–O bonds cleavage together with the structure–activity relationships; (3) we in‐depth realized the relationship between the chemical/electronic/structural properties of the MOF‐ and COF‐based catalysts and their catalytic performance for lignin‐related substances. Finally, the challenges and future perspectives were also discussed on the catalytic conversion of lignin‐related substances by MOF‐ and COF‐based catalysts. [ABSTRACT FROM AUTHOR]

Adsorptive separation of propyne/propylene (C3H4/C3H6) is a crucial yet complex process, however, it remains a great difficulty in developing porous materials that can meet the requirements for practical applications, particularly with an exceptional ability to bind and store trace amounts of C3H4. Functionalization of pore‐partitioned metal–organic frameworks (ppMOFs) is methodically suited for this challenge owing to the possibility of dramatically increasing binding sites on highly porous and confined domains. We here immobilized Lewis‐basic (−NH2) and Lewis‐acidic (−NO2) sites on this platform. Along with an integrated nature of high uptake of C3H4 at 1 kPa, high uptake difference of C3H4−C3H6, moderated binding strength, promoted kinetic selectivity, trapping effect and high stability, the NH2‐decorated ppMOF (NTU‐100‐NH2) can efficiently produce polymer‐grade C3H6 (99.95 %, 8.3 mmol ⋅ g−1) at room temperature, which is six times more than the NO2‐decorated crystal (NTU‐100‐NO2). The in situ infrared spectroscopy, crystallographic analysis, and sequential blowing tests showed that the densely packed amino group in this highly porous system has a unique ability to recognize and stabilize C3H4 molecules. Moving forward, the strategy of organic functionalization can be extended to other porous systems, making it a powerful tool to customize advanced materials for challenging tasks. [ABSTRACT FROM AUTHOR]

Metal–organic frameworks (MOFs), self-assembled porous materials synthesized from metal ions and organic ligands, are promising candidates for the direct capture of CO2 from the atmosphere. In this work, we developed a regression model to predict the optimal component of the MOF that governs the amount of CO2 adsorption per volume based on experimentally observed adsorption and structure data combined with MOF adsorption sites. The structural descriptors were generated by topological data analysis with persistence diagrams, an advanced mathematical method for quantifying the rings and cavities within the MOF. This enables us to analyze direct effects and significance of the geometric structure of the MOF on the efficiency of CO2 adsorption in a novel way. The proposed approach is proved to be highly correlated with experimental data and thus offers an effective screening tool for MOFs with optimized structures. [ABSTRACT FROM AUTHOR]

Post-synthetic modification is gaining prominence as a highly effective strategy for enhancing the functionality of porous materials without significant structural changes. Recently, there is growing interest in research focusing on elevating proton conductivity through the post-synthetically incorporation of ionic liquids (ILs) into metal–organic frameworks (MOFs). This approach is pivotal as it not only addresses the viscosity challenges associated with ILs but also simultaneously resolves the issue of low proton conductivity observed in MOFs under anhydrous conditions. This review aims to provide initial insights into the field of IL-functionalized MOFs designed for enhanced proton conductivity and their composite of mixed matrix membranes (MMMs) for practical usability. [ABSTRACT FROM AUTHOR]

Electronic circular dichroism is an important optical phenomenon offering insights into chiral molecular materials. On the other hand, metal–organic frameworks (MOFs) are a novel group of crystalline porous thin‐film materials that provide tailor‐made chemical and physical properties by carefully selecting their building units. Combining these two aspects of contemporary material research and integrating chiral molecules into MOFs promises devices with unprecedented functionality. However, considering the nearly unlimited degrees of freedom concerning the choice of materials and the geometrical details of the possibly structured films, urgently it needs to complement advanced experimental methods with equally strong modeling techniques. Most notably, these modeling techniques must cope with the challenge that the material and devices thereof cover size scales from Ångströms to mm. In response to that need, a computational workflow is outlined that seamlessly combines quantum chemical methods to capture the properties of individual molecules with optical simulations to capture the properties of functional devices made from these molecular materials. The focus is on chiral properties and applying work to UiO‐67‐BINOL MOFs, for which experimental results are available to benchmark the results of the simulations and explore the optical properties of cavities and metasurfaces made from that chiral material. [ABSTRACT FROM AUTHOR]

JUK-8 ([Zn(oba)(pip)]n, oba2– = 4,4′-oxybis(benzenedicarboxylate), pip = 4-pyridyl-functionalized benzene-1,3-dicarbohydrazide) is a hydrolytically stable flexible metal-organic framework. Owing to its unusual adsorptive properties, JUK-8 can be considered as a promising sensing material for construction of detectors of volatile organic compounds (VOCs) in air. Quasi-equilibrated temperature-programmed desorption and adsorption (QE-TPDA) is a versatile method dedicated to characterization of porous materials. In this work, QE-TPDA was employed to study co-adsorption of water and selected alcohols in JUK-8. For the first time an infrared detector sensitive to organic compounds was used in the QE-TPDA measurements, allowing the study of the influence of water vapor on sorption of VOCs. The QE-TPDA profiles of the studied alcohols, exhibiting two desorption maxima and two adsorption minima, are consistent with the standard sorption isotherms, revealing a two-step adsorption–desorption mechanism. The profiles recorded in the presence of water are noticeably changed in different ways for different alcohols. While at low relative humidity (RH) (ca. 20%) the low temperature adsorption states of ethanol and 1-propanol were only slightly destabilized, for 2-propanol almost complete suppression of adsorption was observed. The results found for moderate RH levels (ca. 50%) indicated that the opening of the JUK-8 structure, responsible for its breathing behavior, was followed by the filling of the just generated pores with a water–alcohol mixture. [ABSTRACT FROM AUTHOR]

Crystalline porous materials (CPMs), including covalent organic frameworks (COFs) and metal–organic frameworks (MOFs), are promising materials for advanced separation technologies. However, the challenge of transforming nanoscale CPMs into large‐area functional membranes hinders their application in the membrane separation process. Herein, a self‐standing pure COF (TpPa‐1) nanofiber membrane with high crystallinity, good flexibility, excellent mechanical properties, and scalability is prepared using an electrospinning process and polymer sacrificial template strategy. Subsequently, the COF nanofiber membrane is innovatively used to replace traditional inorganic discs, metal meshes, and polymer membranes as porous supports, and the COF–MOF composite CPM membrane is prepared through the tailorable and confined growth of zeolite imidazolium salt frame‐8 (ZIF‐8) on the surface of the COF membrane and in the gaps of the COF nanofibers. The COF–MOF composite membrane exhibits excellent permeability and significantly enhances separation selectivity for organic dyes. Moreover, MOF and COF form an interpenetrating network structure, and their similar chemical properties improve the interfacial stability between the two phases, giving the COF–MOF composite membrane good long‐term separation performance. This is the first self‐standing composite CPM membrane with excellent molecular sieving performance, which provides new insights into the design of high‐performance and robust composite membranes. [ABSTRACT FROM AUTHOR]

Over the last few decades, there has been a growing discourse surrounding environmental and health issues stemming from drinking water and the discharge of effluents into the environment. The rapid advancement of various sewage treatment methodologies has prompted a thorough exploration of promising materials to capitalize on their benefits. Metal–organic frameworks (MOFs), as porous materials, have garnered considerable attention from researchers in recent years. These materials boast exceptional properties: unparalleled porosity, expansive specific surface areas, unique electronic characteristics including semi-conductivity, and a versatile affinity for organic molecules. These attributes have fueled a spike in research activity. This paper reviews the current MOF-based wastewater removal technologies, including separation, catalysis, and related pollutant monitoring methods, and briefly introduces the basic mechanism of some methods. The scale production problems faced by MOF in water treatment applications are evaluated, and two pioneering methods for MOF mass production are highlighted. In closing, we propose targeted recommendations and future perspectives to navigate the challenges of MOF implementation in water purification, enhancing the efficiency of material synthesis for environmental stewardship. [ABSTRACT FROM AUTHOR]

Metal-organic frameworks (MOF) are an attractive class of porous materials due to their immense design space, allowing for application-tailored properties. Properties of interest, such as gas sorption, can be predicted in silico with molecular mechanics simulations. However, the accuracy is limited by the available empirical force field and partial charge estimation scheme. In this work, we train a graph neural network for partial charge prediction via active learning based on Dropout Monte Carlo. We show that active learning significantly reduces the required amount of labeled MOFs to reach a target accuracy. The obtained model generalizes well to different distributions of MOFs and Zeolites. In addition, the uncertainty predictions of Dropout Monte Carlo enable reliable estimation of the mean absolute error for unseen MOFs. This work paves the way towards accurate molecular modeling of MOFs via next-generation potentials with machine learning predicted partial charges, supporting in-silico material design. [ABSTRACT FROM AUTHOR]

Energy shortage hinders the rapid development of today's society, and the emergence of electronic travel equipment alleviates this phenomenon to a certain extent. The batteries are the energy storage part of electric equipment. Metal-organic frameworks (MOFs) are a fresh sort of porous crystal materials with controllable structure, large specific surface area, and adjustable pore size. MOFs are good electrode materials, which are used to make a variety of friendly environment, long cycling life and superior energy density of new batteries. Furthermore, MOFs are also used in separators and electrolytes, which have a lot of application space in batteries. In this review, the up-to-date research advance of MOF materials in various kinds of batteries (lithium-ion batteries, lithium oxygen batteries, lithium sulfur batteries, zinc-ion batteries, potassium-ion batteries, etc.) is reviewed. Moreover, concisely introduced several conventional synthesis approaches of MOFs. Finally, Perspectives and directions on the future improvement of MOF in energy storage devices are proposed for meeting the requirement of practical applications. [ABSTRACT FROM AUTHOR]