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CO2 adsorption mechanisms on MOFs: a case study of open metal sites, ultra-microporosity and flexible framework
Reaction Chemistry & Engineering ( IF 3.4 ) Pub Date : 2021-4-28 , DOI: 10.1039/d1re00090j Renata Avena Maia 1, 1, 2, 3, 4 , Benoît Louis 1, 3, 4 , Wanlin Gao 5, 6, 7, 8 , Qiang Wang 5, 6, 7, 8
Reaction Chemistry & Engineering ( IF 3.4 ) Pub Date : 2021-4-28 , DOI: 10.1039/d1re00090j Renata Avena Maia 1, 1, 2, 3, 4 , Benoît Louis 1, 3, 4 , Wanlin Gao 5, 6, 7, 8 , Qiang Wang 5, 6, 7, 8
Affiliation
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The hazardous emission of CO2 in the atmosphere is a concerning topic when addressing climate change issues. The mitigation of this greenhouse gas has attracted great attention in the realm of a sustainable economy, especially regarding the design of novel CO2 capture technologies. Metal–organic frameworks (MOFs), a class of hybrid porous materials, stand out as efficient carbon capture and sequestration (CCS) materials, which have a CO2 capacity of similar range or superior to the standard employed adsorbents, such as zeolite 13X and activated carbon. Taking into account the promising future of MOFs as CO2 adsorbents, it is therefore of utter importance to understand the CO2 adsorption mechanisms in these porous materials, which can contribute to further improvement of their performance. In this review, we explore the CO2 adsorption mechanisms of diverse MOFs, namely MOF-74-Mg, HKUST-1, SIFSIX-3-M (M = Fe, Co, Ni, Cu, Zn), and ZIF-8. These materials show interesting features as open metal sites, ultra-microporosity, and flexible framework, which are present in the majority of MOFs used for this application. Studies regarding their preferential adsorption sites, water stability, CO2–MOF complex configuration, CO2 adsorption dynamics, bonding angle, decomposition mechanism, and swing effects were addressed in this contribution.
中文翻译：
MOF上的CO2吸附机理：以开放金属位点，超微孔和柔性框架为例
解决气候变化问题时，大气中CO 2的有害排放是一个令人关注的话题。减少这种温室气体在可持续经济领域引起了极大的关注，特别是在设计新颖的CO 2捕集技术方面。金属有机骨架（MOF）是一类杂化多孔材料，是高效的碳捕集与封存（CCS）材料，其CO 2容量范围相似或优于标准使用的吸附剂，例如13X沸石和活性炭。考虑到MOF作为CO 2吸附剂的前景广阔，因此了解CO 2非常重要这些多孔材料中的吸附机理，可以进一步改善其性能。在这篇综述中，我们探索了各种MOF，即MOF-74-Mg，HKUST-1，SIFSIX-3-M（M = Fe，Co，Ni，Cu，Zn）和ZIF-8的CO 2吸附机理。这些材料显示出有趣的特征，如开放的金属位点，超微孔和灵活的框架，这些特征存在于此应用程序的大多数MOF中。在此贡献中，研究了有关它们的优先吸附位，水稳定性，CO 2 -MOF复杂构型，CO 2吸附动力学，键角，分解机理和摆动效应的研究。
更新日期：2021-05-06
中文翻译：
MOF上的CO2吸附机理：以开放金属位点，超微孔和柔性框架为例
解决气候变化问题时，大气中CO 2的有害排放是一个令人关注的话题。减少这种温室气体在可持续经济领域引起了极大的关注，特别是在设计新颖的CO 2捕集技术方面。金属有机骨架（MOF）是一类杂化多孔材料，是高效的碳捕集与封存（CCS）材料，其CO 2容量范围相似或优于标准使用的吸附剂，例如13X沸石和活性炭。考虑到MOF作为CO 2吸附剂的前景广阔，因此了解CO 2非常重要这些多孔材料中的吸附机理，可以进一步改善其性能。在这篇综述中，我们探索了各种MOF，即MOF-74-Mg，HKUST-1，SIFSIX-3-M（M = Fe，Co，Ni，Cu，Zn）和ZIF-8的CO 2吸附机理。这些材料显示出有趣的特征，如开放的金属位点，超微孔和灵活的框架，这些特征存在于此应用程序的大多数MOF中。在此贡献中，研究了有关它们的优先吸附位，水稳定性，CO 2 -MOF复杂构型，CO 2吸附动力学，键角，分解机理和摆动效应的研究。
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