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Removal of mercury from flue gas has been considered as one of the hot topics in both the scientific and industrial world. Adsorption of elemental mercury (Hg0) and oxidized mercury species (HgCl2, HgO, and HgS) on a novel metal organic framework (MOF) material, named Mg/DOBDC, with unsaturated metal centers was investigated using density functional theory (DFT) calculations. The results show that...
Capturing CO 2 from the flue gases for sequestration is currently a key issue in environmental protection. Metal–organic frameworks (MOFs) are a new class of porous materials and have shown great promise for CO 2 adsorption and separation applications. While the linkers of MOFs influence the CO 2 adsorption performance greatly, the mechanism about it is still not clear. In...
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