Bimetallic metal-organic frameworks (MOFs) synthesized using the spray method for tunable CO2 adsorption
نویسندگان
چکیده
منابع مشابه
A Review on Breathing Behaviors of Metal-Organic-Frameworks (MOFs) for Gas Adsorption
Metal-organic frameworks (MOFs) are a new class of microporous materials that possess framework flexibility, large surface areas, "tailor-made" framework functionalities, and tunable pore sizes. These features empower MOFs superior performances and broader application spectra than those of zeolites and phosphine-based molecular sieves. In parallel with designing new structures and new chemistry...
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Carbon dioxide (CO2 ), as the primary greenhouse gas in the atmosphere, triggers a series of environmental and energy related problems in the world. Therefore, there is an urgent need to develop multiple methods to capture and convert CO2 into useful chemical products, which can significantly improve the environment and promote sustainable development. Over the past several decades, metal-organ...
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Metal-organic frameworks (MOFs) are a class of hybrid network supramolecular solid materials comprised of organized organic linkers and metal cations. They can display enormously high surface areas with tunable pore size and functionality, and can be used as hosts for a range of guest molecules. Since their discovery, MOFs have experienced widespread exploration for their applications in gas st...
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Using van der Waals-corrected density functional theory and a local chemical bond analysis, we study and explain trends in the binding between CO2 and open-metal coordination sites within a series of two metal-organic frameworks (MOFs), BTT, and MOF-74 for Ca, Mg, and nine divalent transition-metal cations. We find that Ti and V result in the largest CO2 binding energies and show that for these...
متن کاملComparing van der Waals Density Functionals for CO2 Adsorption in Metal Organic Frameworks
The accuracy of five recently proposed van der Waals (vdW) density functionals (optB86b, optB88, optPBE, revPBE, and rPW86), the semiempirical vdW method of Grimme (DFT-D2), and conventional local (LDA) and gradient-corrected (GGA-PBE) density functionals are assessed with respect to experimental enthalpies (ΔH) for CO2 adsorption in four prototypical metal organic frameworks (MOFs) containing ...
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ژورنال
عنوان ژورنال: Chemical Engineering Journal
سال: 2020
ISSN: 1385-8947
DOI: 10.1016/j.cej.2019.122825