Tuning the pore-chemistry of Zr¿¿-C4 Metal-Organic Frameworks for gas adsorption: unraveling the host-guest interactions via INS
The transition to a civilization without carbon emissions depends on the storage and separation of gas from the atmosphere and environment. As a result of its adaptable pore shape and customizable chemistry, Metal-Organic Frameworks (MOFs) have become potential adsorbents for gases including CO2 and CH4. With regard to customised gas adsorption, Zr¿¿-C4 MOFs with pendant functional groups show enormous promise. It was investigated the green synthesis of Zr-C4 MOFs with various pendant groups (-SH, -NH¿, Br, and COOH) that resulted in both cubic (BCM-1) and hexagonal (BCM-2) topologies. The objective of this research is to unravel the host-guest interactions of CO2, CH4, and water at high and low pressures within the most promising cubic and hexagonal Zr-C4 MOF variants. A detailed experimental plan, including Inelastic Neutron Scattering (INS) experiments and DFT calculations, has been outlined to achieve this goal. Hence, this project contributes to the development of advanced adsorbents for gas capture and separation, a critical step in achieving a sustainable and carbon-neutral future.
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The recommended format for citing this dataset in a research publication is in the following format:
MARTINEZ HERNANDEZ Harol david; Roberto Fernández de Luis; JIMENEZ RUIZ Monica and PORRO AZPIAZU Jose Maria. (2024). Tuning the pore-chemistry of Zr¿¿-C4 Metal-Organic Frameworks for gas adsorption: unraveling the host-guest interactions via INS. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-05-598
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