Готові списки джерел за темами / Multi-functional Metal Organic Frameworks

Добірка наукової літератури з теми "Multi-functional Metal Organic Frameworks"

Автор: Grafiati

Опубліковано: 7 вересня 2023

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Статті в журналах з теми "Multi-functional Metal Organic Frameworks"

Li, Baiyan, Matthew Chrzanowski, Yiming Zhang, and Shengqian Ma. "Applications of metal-organic frameworks featuring multi-functional sites." Coordination Chemistry Reviews 307 (January 2016): 106–29. http://dx.doi.org/10.1016/j.ccr.2015.05.005.

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Vilela, Sérgio M. F., Duarte Ananias, Ana C. Gomes, Anabela A. Valente, Luís D. Carlos, José A. S. Cavaleiro, João Rocha, João P. C. Tomé, and Filipe A. Almeida Paz. "Multi-functional metal–organic frameworks assembled from a tripodal organic linker." Journal of Materials Chemistry 22, no. 35 (2012): 18354. http://dx.doi.org/10.1039/c2jm32501b.

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Wriedt, Mario, Darpandeep Aulakh, Wen An, Juby Varghese, Xuan Zhang, Kim R. Dunbar, and Marius Ciobanu. "Functional zwitterionic metal–organic frameworks with multi stimulus-responsive properties." Acta Crystallographica Section A Foundations and Advances 74, a1 (July 20, 2018): a203. http://dx.doi.org/10.1107/s0108767318097969.

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Cui, Yuanjing, Jun Zhang, Huajun He, and Guodong Qian. "Photonic functional metal–organic frameworks." Chemical Society Reviews 47, no. 15 (2018): 5740–85. http://dx.doi.org/10.1039/c7cs00879a.

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Cui, Yuanjing, Yanfeng Yue, Guodong Qian, and Banglin Chen. "Luminescent Functional Metal–Organic Frameworks." Chemical Reviews 112, no. 2 (June 21, 2011): 1126–62. http://dx.doi.org/10.1021/cr200101d.

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Zhao, Dian, Yuanjing Cui, Yu Yang, and Guodong Qian. "Sensing-functional luminescent metal–organic frameworks." CrystEngComm 18, no. 21 (2016): 3746–59. http://dx.doi.org/10.1039/c6ce00545d.

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Maji, Tapas Kumar. "Stimuli-responsive functional metal–organic frameworks." Acta Crystallographica Section A Foundations and Advances 73, a2 (December 1, 2017): C302. http://dx.doi.org/10.1107/s2053273317092713.

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Liu, Wenxian, Jijiang Huang, Qiu Yang, Shiji Wang, Xiaoming Sun, Weina Zhang, Junfeng Liu, and Fengwei Huo. "Multi-shelled Hollow Metal-Organic Frameworks." Angewandte Chemie 129, no. 20 (March 23, 2017): 5604–8. http://dx.doi.org/10.1002/ange.201701604.

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Liu, Wenxian, Jijiang Huang, Qiu Yang, Shiji Wang, Xiaoming Sun, Weina Zhang, Junfeng Liu, and Fengwei Huo. "Multi-shelled Hollow Metal-Organic Frameworks." Angewandte Chemie International Edition 56, no. 20 (March 23, 2017): 5512–16. http://dx.doi.org/10.1002/anie.201701604.

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Rabiee, Navid, Mohammad Rabiee, Soheil Sojdeh, Yousef Fatahi, Rassoul Dinarvand, Moein Safarkhani, Sepideh Ahmadi, et al. "Porphyrin Molecules Decorated on Metal-Organic Frameworks for Multi-Functional Biomedical Applications." Biomolecules 11, no. 11 (November 17, 2021): 1714. http://dx.doi.org/10.3390/biom11111714.

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Анотація:

Metal–organic frameworks (MOFs) have been widely used as porous nanomaterials for different applications ranging from industrial to biomedicals. An unpredictable one-pot method is introduced to synthesize NH2-MIL-53 assisted by high-gravity in a greener media for the first time. Then, porphyrins were deployed to adorn the surface of MOF to increase the sensitivity of the prepared nanocomposite to the genetic materials and in-situ cellular protein structures. The hydrogen bond formation between genetic domains and the porphyrin’ nitrogen as well as the surface hydroxyl groups is equally probable and could be considered a milestone in chemical physics and physical chemistry for biomedical applications. In this context, the role of incorporating different forms of porphyrins, their relationship with the final surface morphology, and their drug/gene loading efficiency were investigated to provide a predictable pattern in regard to the previous works. The conceptual phenomenon was optimized to increase the interactions between the biomolecules and the substrate by reaching the limit of detection to 10 pM for the Anti-cas9 protein, 20 pM for the single-stranded DNA (ssDNA), below 10 pM for the single guide RNA (sgRNA) and also around 10 nM for recombinant SARS-CoV-2 spike antigen. Also, the MTT assay showed acceptable relative cell viability of more than 85% in most cases, even by increasing the dose of the prepared nanostructures.

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Дисертації з теми "Multi-functional Metal Organic Frameworks"

Cadman, Laura. "Multi-component metal-organic frameworks." Thesis, University of Bath, 2017. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.723319.

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The synthesis of metal-organic frameworks (MOFs) with new structures and multi-functional pore environments is an area of growing research interest. One route to forming materials of this kind is through the synthesis of multi-component MOFs, which may include multiple organic ligand types or metals in the framework. This thesis presents new examples of multi-component MOFs which aim to demonstrate how this approach affects the properties of the resulting frameworks. Chapter 1 details the terminology surrounding metal-organic frameworks and includes a review of the literature. The overall aims of the thesis are presented at the end of this chapter. A series of mixed-ligand MOFs are presented in Chapter 2, combining multiple organic ligands which perform the same structural role within the framework but contain different functionalities. X-ray diffraction studies revealed that the pore size and geometry of the products can be systematically altered through compositional control. Chapter 3 is an investigation into defect formation through the systematic inclusion of a dicarboxylate ligand into frameworks based on tricarboxylate ligands. X-ray diffraction and gas adsorption studies on the mixed-ligand products show them to be isostructural to the single ligand analogues and contain defects which induce porosity into an otherwise non-porous system. The preparation of zinc-based anionic MOFs which contain viologen cations in their pores are detailed in Chapter 4. A reduction of the viologen counter-ions from the dication (yellow) to the radical cation (blue) was observed with heating or irradiation. Stability of the viologen radical cations within the MOFs was investigated through electron paramagnetic spectroscopy and was shown to be dependent on the framework topology. Finally, Chapter 5 describes the synthesis and characterisation of a range of mixed-lanthanide coreshell MOFs, containing gadolinium, terbium and europium. These materials exhibit different emission properties than those of an isostructural framework containing randomly distributed lanthanide centres.

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Kearns, Eleanor Rose. "Multi-stimuli Metal-organic frameworks and their composites." Thesis, The University of Sydney, 2022. https://hdl.handle.net/2123/29561.

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Metal-Organic Frameworks (MOFs) are a versatile class of materials. Their high surface area combined with the functionality of their constituent organic ligands make them suitable for a wide range of applications. In their scale-up to industry level uses, MOFs face several roadblocks. The largest of these obstacles are large-scale green syntheses of MOFs and processing the polycrystalline powders into useable forms. This thesis examines structure-activity relationships in a family of TTF-based MOFs, and presents a green synthesis for UiO-66-NH2. Finally, 3D-printing will be examined as a method for preparing MOF-based electrocatalytic electrodes. Chapter 3 and Chapter 4 will examine the structure-activity relationships (SARs) of charge transfer and photocyclization respectively. Herein, a family of photoactive TTF-based MOFs, generated by systematically varying the framework constituents, are used to probe the effect of structure on the intervalence charge-transfer (IVCT) and [2+2] photocyclisation processes. Chapter 5 presents a novel one-step mechanochemical synthesis of UiO-66-NH2. This synthesis proceeds from ZrOCl2.8H2O in a 66% yield. The mechanochemical synthesis presented is more scalable than other benign syntheses of UiO-66-NH2, and importantly yields highly crystalline material with comparable surface area to UiO-66-NH2 synthesized via alternative mechanochemical routes. Chapter 6 presents the first example of 3D-printed MOF electrodes for electrocatalysis, which expands upon previous work on 3-D printed MOF and zeolite-based composite sorbent materials. This represents a new technique for electrochemical analysis of solid analytes, as well as the development of self-supporting solid MOF-based electrodes. This research shows that the properties of the MOF are maintained once printed, and a clear electrochemical response to the analyte of interest is observed.

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Carson, Fabian. "Development of Metal–Organic Frameworks for Catalysis : Designing Functional and Porous Crystals." Doctoral thesis, Stockholms universitet, Institutionen för material- och miljökemi (MMK), 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-115819.

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Metal–organic frameworks, or MOFs, have emerged as a new class of porous materials made by linking metal and organic units. The easy preparation, structural and functional tunability, ultrahigh porosity, and enormous surface areas of MOFs have led to them becoming one of the fastest growing fields in chemistry. MOFs have potential applications in numerous areas such as clean energy, adsorption and separation processes, biomedicine, and sensing. One of the most promising areas of research with MOFs is heterogeneous catalysis. This thesis describes the design and synthesis of new, carboxylate-based MOFs for use as catalysts. These materials have been characterized using diffraction, spectroscopy, adsorption, and imaging techniques. The thesis has focused on preparing highly-stable MOFs for catalysis, using post-synthetic methods to modify the properties of these crystals, and applying a combination of characterization techniques to probe these complex materials. In the first part of this thesis, several new vanadium MOFs have been presented. The synthesis of MIL-88B(V), MIL-101(V), and MIL-47 were studied using ex situ techniques to gain insight into the synthesis–structure relationships. The properties of these materials have also been studied. In the second part, the use of MOFs as supports for metallic nanoparticles has been investigated. These materials, Pd@MIL-101–NH2(Cr) and Pd@MIL-88B–NH2(Cr), were used as catalysts for Suzuki–Miyaura and oxidation reactions, respectively. The effect of the base on the catalytic activity, crystallinity, porosity, and palladium distribution of Pd@MIL-101–NH2(Cr) was studied. In the final part, the introduction of transition-metal complexes into MOFs through different synthesis routes has been described. A ruthenium complex was grafted onto an aluminium MOF, MOF-253, and an iridium metallolinker was introduced into a zirconium MOF, UiO-68–2CH3. These materials were used as catalysts for alcohol oxidation and allylic alcohol isomerization, respectively.

At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 2: Manuscript. Paper 5: Manuscript.

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Ryder, Matthew. "Physical phenomena in metal-organic frameworks : mechanical, vibrational, and dielectric response." Thesis, University of Oxford, 2017. https://ora.ox.ac.uk/objects/uuid:c7a51278-19d7-45ae-825a-bac8040775a7.

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This thesis entails the utilisation of ab initio density functional theory (DFT) in conjunction with neutron and synchrotron spectroscopy to study the mechanical, vibrational, and dielectric response of metal-organic framework (MOF) materials at the molecular level. MOFs are crystalline materials with nanoscale porosity, which have garnered immense scientific and technological interest for a wide variety of innovative engineering applications. One part of the thesis involves using low-frequency lattice vibrations to characterise the various physical motions that are possible for framework materials. These collective modes detected at terahertz (THz) frequencies have been used to reveal a broad range of exciting possibilities. New evidence has been established to demonstrate that THz modes are intrinsically linked to anomalous elasticity underpinning gate-opening and pore-breathing mechanisms, and to shear-induced phase transitions and the onset of structural instability. The phenomenon of molecular rotor mechanisms and trampoline-like motions are also observed, along with the first experimental confirmation of coordinated shear dynamics. Additionally, a new method to characterise the effects of temperature, and hence thermally-induced structural amorphisation is reported. Finally, for the first time, the frequency-dependent (dynamic) dielectric response of MOF materials, across the extended infrared (IR) spectral region was reported. The results were obtained from experimental synchrotron radiation IR reflectivity and DFT to reveal the low-к dielectric response of MOFs and established structure-property trends that highlight them as promising systems for microelectronic device applications.

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Nouar, Farid. "Design, Synthesis and Post-Synthetic Modifications of Functional Metal-Organic Materials." Scholar Commons, 2010. https://scholarcommons.usf.edu/etd/1725.

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Porous solids are a class of materials of high scientific and technological significance. Indeed, they have the ability to interact with atoms, ions or molecules not only at their surface but also throughout the bulk of the solid. This ability places these materials as a major class involved in many applications such as gas storage and separation, catalysis, drug delivery and sensor technology. Metal-Organic Materials (MOMs) or coordination polymers (CPs) are crystalline compounds constructed from metal ions or clusters and organic components that are linked via coordination bonds to form zero-, one-, two or three-periodic structures. Porous Metal-Organic Materials (MOMs) or Metal-Organic Frameworks (MOFs) are a relatively new class of nanoporous materials that typically possess regular micropores stable upon removal of guests. An extraordinary academic and industrial interests was witnessed over the past two decades and is evidenced by a fantastic grow of these new materials. Indeed, due to a self-assembly process and readily available metals and organic linkers, an almost infinite number of materials can, in principle, be synthesized. However, a rational design is very challenging but not impossible. In theory, MOMs could be designed and synthesized with tuned functionalities toward specific properties that will determine their potential applications. The present research involves the design and synthesis of functional porous Metal-Organic Materials that can be used as platforms for specific studies related to many applications such as for example gas storage and particularly hydrogen storage. In this manuscript, I will discuss the studies performed on existing major Metal-Organic Frameworks, namely Zeolite-like Metal-Organic Frameworks (ZMOFs) that were designed and synthesized in my research group. My research was also focused on the design and the synthesis of new highly porous isoreticular materials based on Metal-Organic Polyhedra (MOP) where desirable functionality and unique features can be introduced in the final material prior and/or after the assembly process. The use of hetero-functional ligands for a rational design toward binary or ternary net will also be discussed in this dissertation.

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Lifshits, Liubov Mikhaylovna. "A supramolecular approach for engineering functional solid-state chromophore arrays within metal-organic materials." Bowling Green State University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1460155929.

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Das, Anita. "Metal- Organic Frameworks as a Platform for Elucidating the Effects of Functional Sites on CO2 Interaction." Thesis, The University of Sydney, 2015. http://hdl.handle.net/2123/13813.

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This thesis reports an investigation into metal-organic frameworks (MOFs) as candidate solid-state carbon dioxide capture materials. The modulation of CO2 uptake and heat of adsorption (|Qst|) were explored in response to the systematic variation of pore size, surface area and/or functionalisation in a range of targeted MOFs. Chapter 3 exploits ligand design and targeted MOF synthesis. Functionalised ligands based on the 4,4′-biphenyldicarboxylate core were generated through facile synthetic routes and incorporated into known MOF topologies, including the cubic UiO topology, the pillared paddlewheel topology and IRMOF-9 topology. Through the variation of metal, pore size and/or functionality in each of these series, general correlations between structure and degree of CO2 interaction with the adsorbate were elucidated. The problematic nature of unpredictable MOF self-assembly are also discussed Chapter 3, in which the synthesis, characterisation, and properties of four novel MOFs have been examined. Chapter 4 investigates post-synthetic modification (PSM) as an approach to generate more polar functional sites. PSM was undertaken in two framework types, microporous UiO-66 and mesoporous MIL-101, to investigate the effect of pore size on both the extent of PSM and its influence on CO2 uptake. In the mesoporous case, the polar functional sites increased CO2 uptake in all cases despite lower surface areas, suggesting that for larger pore frameworks, this is an effective strategy for enhancing CO2 uptake. Chapter 5 explores the potential for interplay between CO2 uptake and optical properties in MOFs through the use of CO2-reactive sites tethered to fluorophores in the porous structures. The results suggest that MOFs containing the arginine moiety are promising candidate CO2 chemosensors, as they exhibited strong linear fluorescence responses with increased CO2 dosing. This chapter presents a promising approach to the design of novel chemosensors.

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Epp, Konstantin [Verfasser], Roland A. [Akademischer Betreuer] Fischer, Vos Dirk [Gutachter] De, and Roland A. [Gutachter] Fischer. "Metalloporphyrin-based Metal-Organic Frameworks as Multi-Functional Heterogeneous Catalysts / Konstantin Epp ; Gutachter: Dirk De Vos, Roland A. Fischer ; Betreuer: Roland A. Fischer." München : Universitätsbibliothek der TU München, 2019. http://d-nb.info/1188408879/34.

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Penley, Drace Robert. "Multi-Layer Connectivity-Based Atom Contribution Method for Charge Assignments in Metal-Organic Frameworks (MOFs)." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1555599813789541.

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Elsaidi, Sameh Khamis. "Crystal Engineering of Functional Metal-Organic Material Platforms for Gas Storage and Separation Applications." Scholar Commons, 2014. https://scholarcommons.usf.edu/etd/5417.

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Metal-organic materials (MOMs) represent a unique class of porous materials that captured a great scientific interest in various fields such as chemical engineering, physics and materials science. They are typically assembled from metal ions or metal clusters connected by multifunctional organic ligands. They represent a wide range of families of materials that varied from 0D to 3D networks: the discrete (0D) structures exemplified by metal-organic polyhedra (MOPs), cubes and nanoballs while the polymeric 1D, 2D and 3D structures exemplified by coordination polymers (CPs). Indeed, the porous 3D structures include metal-organic frameworks (MOFs), porous coordination polymers (PCPs) and porous coordination networks (PCNs). Nevertheless, MOMs are long and well-known from more than 50 years ago as exemplified by CPs that were firstly introduced in early 1960s and reviewed in 1964. However, the scientific interest toward MOMs has been enormously grown only since late 1990s, with the discovery of MOMs with novel properties, especially the high permanent porosity as exemplified by MOF-5 and HKUST-1. The inherent tunability of MOMs from the de novo design to the post-synthetic modification along with their robustness, afford numerous important families of nets "platforms" such as pcu, dia, tbo, mtn and rht topology networks. There are more than 20,000 crystal structures of MOMs in the Cambridge Structure Database (CSD). However, only a few of the networks can be regarded as families or platforms where the structure is robust, fine-tunable and inherently modular. Such robustness and inherent modularity of the platforms allow the bottom-up control over the structure "form comes before function" which subsequently facilitates the systematic study of structure/function in hitherto unprecedented way compared with the traditional screening approaches that are commonly used in materials science. In this context, we present the crystal engineering of two MOM platforms; dia and novel fsc platforms as well we introduce the novel two-step synthetic approach using trigonal prismatic clusters to build multinodal 2D and 3D MOM platforms. For the dia platform, we introduce a novel strategy to control over the level of the interpenetration of dia topology nets via solvent-template control and study the impact of the resulting different pore sizes on the squeezing of CH4, CO2 and H2 gases. New benchmark material for methane isosteric heat of adsorption was produced from this novel work. Indeed we introduce the crystal engineering of a novel versatile 4,6-c fsc platform that is formed from linking two of the longest known and most widely studied MBBs: the square planar MBB [Cu(AN)4]2+( AN = aromatic nitrogen donor) and square paddlewheel MBB [Cu2(CO2R)4] that are connected by five different linkers with different length, L1-L5. The resulting square grid nets formed from alternating [Cu(AN)4]2+ and [Cu2(CO2R)4] moieties are pillared at the axial sites of the [Cu(AN)4]2+ MBBs with dianionic pillars to form neutral 3D 4,6-connected fsc (four, six type c) nets. Pore size control in this family of fsc nets was exerted by varying the length of the linker ligand whereas pore chemistry was implemented by unsaturated metal centers (UMCs) and the use of either inorganic or organic pillars. 1,5-naphthalenedisulfonate (NDS) anions pillar in an angular fashion to afford fsc-1-NDS, fsc-2-NDS, fsc-3-NDS, fsc-4-NDS and fsc-5-NDS from L1-L5, respectively. Experimental CO2 sorption studies revealed higher isosteric heat of adsorption (Qst) for the compound with the smaller pore size (fsc-1-NDS). Computational studies revealed that there is higher CO2 occupancy about the UMCs in fsc-1-NDS compared to other extended variants that were synthesized with NDS. SiF62- (SIFSIX) anions in fsc-2-SIFSIX form linear pillars that result in eclipse [Cu2(CO2R)4] moieties at a distance of just 5.86 Å. The space between the [Cu2(CO2R)4] moieties is a strong CO2 binding site that can be regarded as being an example of a single-molecule trap; this finding has been supported by modeling studies. Furthermore, we present herein the implementation of the two-step synthetic approach for the construction of novel multinodal MOM platforms, using the trigonal prism cluster [M3(µ3-O)(RCO2)6] as a precursor to build novel stable multinodal 2D and 3D frameworks. In the first step, the bifunctional carboxylate ligands are reacted with Fe+3 or Cr+3 salts to isolate highly symmetrical decorated trigonal prismatic clusters with diverse decoration such as pyridine, amine and cyano coordinating functional groups using pyridine carboxylate, amino carboxylate, cyano carboxylate type ligands, respectively. Afterward, the isolated highly soluble trigonal prismatic salts were reacted in the second step with another metal that can act as node or linker to connect the discrete trigonal prismatic clusters to build 2D or 3D networks. Indeed, we were able to develop another novel high-symmetry Cu cluster [Cu3(µ3-Cl)(RNH2)6Cl6] by utilizing CuCl2 salt and amine decorated trigonal prismatic cluster. Two novel 3D water stable frameworks with acs and stp topologies have been afforded. Our work on the crystal engineering design and synthesis of new MOM platforms offer an exceptional level of control over the resulting structure including; the resulting topology, pore size, pore chemistry and thereby enable the control over the resulting physicochemical properties in a manner that facilitates the achieving of the desired properties.

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Книги з теми "Multi-functional Metal Organic Frameworks"

Goel, Nidhi, Ranjana Verma, Ravindra Pratap Singh, and Jay Singh. Advanced Functional Metal-Organic Frameworks. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061.

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Schröder, Martin, ed. Functional Metal-Organic Frameworks: Gas Storage, Separation and Catalysis. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-14613-8.

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service), SpringerLink (Online, ed. Functional Metal-Organic Frameworks: Gas Storage, Separation and Catalysis. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010.

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Functional Coordination Polymers and Metal–Organic Frameworks. MDPI, 2021. http://dx.doi.org/10.3390/books978-3-0365-1499-4.

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Morsali, Ali, and Sayed Ali Akbar Razavi. Functional Metal-Organic Frameworks: Structure, Properties and Applications. Wiley & Sons, Limited, John, 2020.

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Morsali, Ali, and Sayed Ali Akbar Razavi. Functional Metal-Organic Frameworks: Structure, Properties and Applications. Wiley & Sons, Incorporated, John, 2020.

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Morsali, Ali, and Sayed Ali Akbar Razavi. Functional Metal-Organic Frameworks: Structure, Properties and Applications. Wiley & Sons, Limited, John, 2021.

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Morsali, Ali, and Sayed Ali Akbar Razavi. Functional Metal-Organic Frameworks: Structure, Properties and Applications. Wiley & Sons, Incorporated, John, 2020.

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Schröder, Martin. Functional Metal-Organic Frameworks : Gas Storage, Separation and Catalysis: Gas Storage, Separation and Catalysis. Springer, 2012.

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Частини книг з теми "Multi-functional Metal Organic Frameworks"

Farrusseng, David, Jérôme Canivet, and Alessandra Quadrelli. "Design of Functional Metal-Organic Frameworks by Post-Synthetic Modification." In Metal-Organic Frameworks, 23–48. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2011. http://dx.doi.org/10.1002/9783527635856.ch2.

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Ahmed, Sana, and Fahmina Zafar. "Potentiality of Magnetic Metal-Organic Frameworks." In Advanced Functional Metal-Organic Frameworks, 189–210. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-9.

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Manjceevan, A., and K. Velauthamurty. "Metal-Organic Frameworks in Heterogeneous Catalysis." In Advanced Functional Metal-Organic Frameworks, 99–123. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-5.

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Nagpure, Gunjan, Shiva, Nidhi Goel, Ranjana Verma, Jay Singh, and Ravindra Pratap Singh. "Overview: What are Metal-Organic Frameworks?" In Advanced Functional Metal-Organic Frameworks, 1–16. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-1.

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Khan, Shabnam, Fahmina Zafar, Farasha Sama, M. Shahid, and Mohammad Yasir Khan. "Promising Functional Metal-Organic Frameworks for Gas Adsorption, Separation and Purification." In Advanced Functional Metal-Organic Frameworks, 65–98. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-4.

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Benjamin, Stephen Rathinaraj, Eli José Miranda Ribeiro Júnior, Geanne Matos de Andrade, and Reinaldo Barreto Oriá. "Metal-Organic Framework–Based Electrochemical Immunosensors for Virus Detection." In Advanced Functional Metal-Organic Frameworks, 269–88. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-12.

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Akitsu, Takashiro, Yoshiyuki Sato, and Daisuke Nakane. "Potential Redox Functions for Catalytic Hybrid Materials of Dimensional Cyanide-Bridged MOFs and Laccase Protein." In Advanced Functional Metal-Organic Frameworks, 237–68. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-11.

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Mishra, Sachin, Fulden Ulucan-Karnak, and Cansu İlke Kuru. "Recent Advancements in Metal-Organic Frameworks for Drug Delivery." In Advanced Functional Metal-Organic Frameworks, 157–67. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-7.

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Kumar, Anil, Usha Raju, and Jyoti. "Utility of Metal-Organic Frameworks in an Electrochemical Charge Storage." In Advanced Functional Metal-Organic Frameworks, 211–35. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-10.

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Kumar, Naresh, and Nidhi Goel. "Future Challenges and Opportunities in the Field of Metal-Organic Frameworks." In Advanced Functional Metal-Organic Frameworks, 289–311. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003252061-13.

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Тези доповідей конференцій з теми "Multi-functional Metal Organic Frameworks"

Roberts, Kendric, and Yen-Lin Han. "Investigating Density Functional Theory’s Effectiveness in Studying Metal-Organic Frameworks Structures." In ASME 2019 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/imece2019-11013.

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Abstract In combatting human induced climate change, carbon capture provides the potential to more slowly ease away from the dependence on hydrocarbon fuel sources, while mitigating the amount of CO2 released into the atmosphere. One promising material to use is metal-organic frameworks (MOF’s). MOF’s offer an immense variety in potential exceptionally porous structures, a property important in separation. As a result of practical experimental measurements being expensive and time consuming, interest in accomplishing the same goal through modeling has also increased. Using density functional theory to optimize the approximate experimentally measured atomic geometries has been shown to have sufficient accuracy. A previous study by Nazarian et al. was performed to optimize structures on the CoRE MOF Database using a supercomputer. The purpose of this study was to attempt to replicate their work done with a single MOF using computational resources more commonly available. Furthermore, as time tends to be the limiting factor in conducting these studies, the use of a smearing function was adjusted for two optimizations to see if any considerable improvement on the efficiency of the optimizations could be made. Our results show both optimizations improved the bond length accuracy relative to the raw data compared with the optimization from Nazarian, et al. The optimization with a more present smearing effect was able to converge the electron field in roughly half the time, while still showing nearly the same results, except for slightly more variability in the bond lengths involving transition metals. Unfortunately, the improvement in bond length, did not correspond in consistent improvement of the larger cell defining metrics. This shows that either a different energy minimum was found or the relationship between the larger cell parameters, with the more local parameters such as bond length is too complex for the method to effectively solve.

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Li, Haoming, Yuehan Lyu, Yanqi Shao, and Tianye Sheng. "Application of Metal–Organic Frameworks-Based Functional Materials for Gas Separation." In The International Conference on Food Science and Biotechnology. SCITEPRESS - Science and Technology Publications, 2022. http://dx.doi.org/10.5220/0012003400003625.

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Kyung, Richard, and Ian Huh Choi. "Metal-Organic Frameworks and Porphyrins for Water Filtration Using Density Functional Theory." In 2023 IEEE 13th Annual Computing and Communication Workshop and Conference (CCWC). IEEE, 2023. http://dx.doi.org/10.1109/ccwc57344.2023.10099165.

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GAGLIARDI, LAURA, and CHRISTOPHER J. CRAMER. "MODELLING METAL–ORGANIC FRAMEWORKS AND OTHER FUNCTIONAL MATERIALS WITH ELECTRONIC STRUCTURE THEORIES." In 25th Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2021. http://dx.doi.org/10.1142/9789811228216_0010.

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Naimi Jamal, Mohammad Reza, Leila Panahi, and Tahereh Azizi Vahed. "Functional Group Modification of Metal-Organic Frameworks for Synthesis of Enol Carbamates." In The 20th International Electronic Conference on Synthetic Organic Chemistry. Basel, Switzerland: MDPI, 2016. http://dx.doi.org/10.3390/ecsoc-20-a013.

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Manion, Charles A., Ryan Arlitt, Irem Tumer, Matthew I. Campbell, and P. Alex Greaney. "Towards Automated Design of Mechanically Functional Molecules." In ASME 2015 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/detc2015-46078.

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Metal Organic Responsive Frameworks (MORFs) are a proposed new class of smart materials consisting of a Metal Organic Framework (MOF) with photoisomerizing beams (also known as linkers) that fold in response to light. Within a device these new light responsive materials could provide the capabilities such as photo-actuation, photo-tunable rigidity, and photo-tunable porosity. However, conventional MOF architectures are too rigid to allow isomerization of photoactive sub-molecules. We propose a new computational approach for designing MOF linkers to have the required mechanical properties to allow the photoisomer to fold by borrowing concepts from de novo molecular design and graph synthesis. Here we show how this approach can be used to design compliant linkers with the necessary flexibility to be actuated by photoisomerization and used to design MORFs with desired functionality.

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Arlitt, Ryan, Charles Manion, Robert Stone, Matthew Campbell, and Irem Tumer. "Using Molecular Fingerprinting to Infer Functional Similarity in Engineered Systems." In ASME 2015 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/detc2015-46888.

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Design of new and advanced materials with shape-shifting or origami-like capabilities is an area that bears a strong similarity to the design of electromechanical products yet has not leveraged such systematic approaches. In this paper, computational methods to design Metal Organic Responsive Frameworks (MORFs) — which are a theoretical type of material that can change their shape and porosity in response to light — are investigated. However, it is a significant challenge to computationally identify MORFs that are both feasible and useful, i.e., systemic invention (as opposed to discovery) of new MORFs. The proposed framework utilizes the typical product design process to iteratively generate new candidates, evaluate their properties, and then guide the generation of the next set of candidates. A materials designer could then leverage this knowledge to generate structures or substructures with specific functional goals in mind. In this paper an approach to inferring functional similarity of systems using structural information — based on both drug design and database-driven product design — is evaluated. The results demonstrate an observable correlation between structural fingerprints of electromechanical products and electromechanical function. This evidence, combined with the well-established similar property principle in drug design, supports the usage of molecular fingerprinting for providing high-level functional guidance in a MORF design framework based on purely structural information.

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Luque, Rafael, Paulette Gómez López, Martyna Murat, Alina Balu, José Miguel Hidalgo Herrador, and Daily Rodríguez-Padrón. "Mechanosynthesis Modification MOF-Ni to the Conversion of Biomass-Derived Methyl Levulinate into Gamma Valerolactone using Functional Metal-Organic Frameworks Employing a Continuous Flow." In 1st International Electronic Conference on Catalysis Sciences. Basel, Switzerland: MDPI, 2020. http://dx.doi.org/10.3390/eccs2020-07553.

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Tamburello, David, Bruce Hardy, and Martin Sulic. "Multi-Component Separation and Purification of Natural Gas." In ASME 2018 Power Conference collocated with the ASME 2018 12th International Conference on Energy Sustainability and the ASME 2018 Nuclear Forum. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/power2018-7537.

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Over the past decade, several technical developments (such as hydraulic fracturing) have led to an exponential increase in discovering new domestic natural gas reserves. Raw natural gas composition can vary substantially from source to source. Typically, methane accounts for 75% to 95% of the total gas, with the rest of the gas containing ethane, propane, butane, other higher hydrocarbons, and impurities, with the most common including H2O, CO2, N2, and H2S. All natural gas requires some treatment, if only to remove H2O; however, the composition of natural gas delivered to the commercial pipeline grids is tightly controlled. Sub-quality natural gas reserves, which are defined as fields containing more than 2% CO2, 4% N2, or 4 ppm H2S, make up nearly half of the world’s natural gas volume. The development of sub-quality, remote, and unconventional fields (i.e. landfill gas) can present new challenges to gas separation and purification methods. Adsorbent technologies, such as the use of activated carbons, zeolites, or metal-organic frameworks (MOFs), may hold the key to more efficient and economically viable separation methods. This work proposes to prove the applicability of the multi-component potential theory of adsorption (MPTA) to a real world natural gas adsorbent system to properly characterize the adsorbent’s selectivity for an individual gas component using only the single component isotherms. Thus, the real-world gas separation/purification application of a specific adsorbent for a given gas stream can be obtained simply and effectively without the need for large experimental efforts or costly system modifications until after an initial computational screening of perspective materials has been completed. While the current research effort will use natural gas, which is the world’s largest industrial gas separations application, to validate the MPTA, the tools gained through this effort can be applied to other gas separation effort.

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Aba, NorFarah Diana, Mohd Shamsul Farid Samsudin, Muzdalifah Zakaria, Azmi Mohammed Nor, Russell Varley, and Jane Zhang. "A New Sustainable Self-Healing System; Autonomous Repair for Glass Reinforced Epoxy Liner for Water Injector Tubing." In SPE Asia Pacific Oil & Gas Conference and Exhibition. SPE, 2022. http://dx.doi.org/10.2118/210767-ms.

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Abstract Often in the water injector (WI) system with liners, the "unseen" damage such as micro scratch is very difficult to be detected, and these micro scratches, when not detected will eventually become a major damage. Employing self-healing technology in the liner will ensure that the minor damage will be healed autonomously during operation, subsequently preventing further major damage. The in-situ healing of the damages is one of the amazing criteria offered by this technology. The integrity of the WI system is eventually assured, prolonging the service life of the materials and avoiding unnecessary expensive inspection and maintenance. In this present work, self-healing technology has been developed for the epoxy-based materials used in glass-reinforced (GRE) liner system for WI tubing. The novel self-healing additives were synthesized using a facile synthesis method and have been proven to be able to potentially replace the expensive rare-earth based catalyst, hence making the commercial step viable. The metal-organic frameworks (MOFs) microcapsules self-healing in the epoxy-based liner system demonstrated successful autonomous healing efficiency at elevated temperatures as examined using a 3D-profilometer, with a healing efficiency of more than 80%. The system with the self-healing additives was able to recover the barrier performance of the liner, up to 98% efficiency as shown by the electrochemical impedance spectroscopy (EIS) assessment. In addition to that, within 2 hours of healing activation by temperature, the samples with the self-healing additives were able to autonomously heal, reaching more than 50% healing efficiency. Moreover, this self-healing system was able to heal a damage width of up to 700µm, for more than 80% healing efficiency. It is worth mentioning that the healing ability remained functional even though the samples had been exposed to harsh conditions for 1000 hours. The healing agent particularly contained in the microcapsules remains intact and stable throughout the stability study, hence suggesting a robust self-healing system. This finding shows the possibility of this technology to provide a sustainable production of self-healing additives for a liner in water injector's well, hence potentially improving the integrity of the materials.

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