Multiscale Theoretical Study of Sulfur Dioxide (SO2) Adsorption in Metal–Organic Frameworks
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DOI: 10.3390/molecules28073122
Abstract: In the present work, we used DFT in order to study the interaction of SO2 with 41 strategically functionalized benzenes that can be incorporated in MOF linkers. The interaction energy of phenyl phosphonic acid (–PO3H2)… read more here.
Keywords: so2 adsorption; study sulfur; theoretical study; study ... See more keywords