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Computational Identification of Connected MOF@COF Materials

Cite this: J. Phys. Chem. C 2021, 125, 10, 5897–5903
Publication Date (Web):March 5, 2021
https://doi.org/10.1021/acs.jpcc.0c11551
Copyright © 2021 American Chemical Society

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    Abstract

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    Covalent-organic frameworks (COFs) are regarded as promising candidates for many different energy/environmental applications, but these materials are more difficult to synthesize compared to other porous materials such as metal–organic frameworks (MOFs). Herein, we developed a computational screening algorithm that uses MOFs as substrates in order to theoretically allow heteroepitaxial growth of three-dimensional COFs (3D COFs). The algorithm details the interface of MOF@COF at the atomic/molecular level in order to create 3D COFs using a bottom-up approach. Consequently, 19 pairs of MOF@COF resulted from the algorithm are selected as candidates for heteroepitaxial growth of 3D COFs on the surface of MOFs.

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    Cited By

    This article is cited by 11 publications.

    1. Mingyu Jeon, Ohmin Kwon, Jihan Kim. Computational Discovery for Crafting Multi-Dimensional and Multi-Functional Metal–Organic Framework Composites. The Journal of Physical Chemistry C 2023, 127 (36) , 18089-18098. https://doi.org/10.1021/acs.jpcc.3c03814
    2. Hasnain Sajid. Effect of interlayer slipping on the geometric, thermal and adsorption properties of 2D covalent organic frameworks: a comprehensive review based on computational modelling studies. Physical Chemistry Chemical Physics 2024, 26 (11) , 8577-8603. https://doi.org/10.1039/D4CP00094C
    3. Zhuoshen Huang, Xiubing Huang, Ge Wang. Adaptive lattice-matched MOF@COF heterostructure for better photocatalytic activity. Matter 2024, 7 (3) , 731-733. https://doi.org/10.1016/j.matt.2024.01.011
    4. Samira Koonani, Alireza Ghiasvand. A highly porous fiber coating based on a Zn-MOF/COF hybrid material for solid-phase microextraction of PAHs in soil. Talanta 2024, 267 , 125236. https://doi.org/10.1016/j.talanta.2023.125236
    5. Kolsoum Nouriasl, Alireza Ghiasvand. A copper-based MOF/COF hybrid as an innovative fiber coating for SPME sampling of polycyclic aromatic hydrocarbons from environmental matrices. Talanta Open 2023, 8 , 100262. https://doi.org/10.1016/j.talo.2023.100262
    6. Farhad Ahmadijokani, Ahmadreza Ghaffarkhah, Hossein Molavi, Subhajit Dutta, Yi Lu, Stefan Wuttke, Milad Kamkar, Orlando J. Rojas, Mohammad Arjmand. COF and MOF Hybrids: Advanced Materials for Wastewater Treatment. Advanced Functional Materials 2023, 82 https://doi.org/10.1002/adfm.202305527
    7. Yanyan Zhang, Guilong Lu, Danfeng Zhao, Xiubing Huang. Recent advances in the synthesis and catalytic applications of metal–organic framework/covalent organic framework composites. Materials Chemistry Frontiers 2023, 7 (20) , 4782-4809. https://doi.org/10.1039/D3QM00565H
    8. Cigdem Altintas, Ilknur Erucar, Seda Keskin. MOF/COF hybrids as next generation materials for energy and biomedical applications. CrystEngComm 2022, 24 (42) , 7360-7371. https://doi.org/10.1039/D2CE01296K
    9. Zhixi Li, Jun Guo, Yue Wan, Yutian Qin, Meiting Zhao. Combining metal-organic frameworks (MOFs) and covalent-organic frameworks (COFs): Emerging opportunities for new materials and applications. Nano Research 2022, 15 (4) , 3514-3532. https://doi.org/10.1007/s12274-021-3980-0
    10. Hakan Demir, Gokhan Onder Aksu, Hasan Can Gulbalkan, Seda Keskin. MOF Membranes for CO2 Capture: Past, Present and Future. Carbon Capture Science & Technology 2022, 2 , 100026. https://doi.org/10.1016/j.ccst.2021.100026
    11. Ziman Chen, Xinle Li, Chongqing Yang, Kaipeng Cheng, Tianwei Tan, Yongqin Lv, Yi Liu. Hybrid Porous Crystalline Materials from Metal Organic Frameworks and Covalent Organic Frameworks. Advanced Science 2021, 8 (20) https://doi.org/10.1002/advs.202101883

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