Potential of Copper-doped nanotubes as catalysts for SO2 oxidation
Materials Science and Engineering: B(2023)
Abstract
•Cu-CNT (7, 0) and Cu-BNNT (7, 0) handled SO2 oxidation via ER and LH mechanisms.•In ER and LH pathways two and one SO3 molecules released, respectively.•High potential of Cu-CNT (7, 0) and Cu-BNNT (7, 0) to SO2 oxidation was proved.•Systematic picture to design of novel metal-doped nano-catalysts was presented.
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Key words
SO2,Mechanism,Reaction step,Oxidation,Nanocatalyst,Theoretical chemistry
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