Two-dimensional porphyrin sheet-supported single-atom manganese catalyst for CO oxidation: A DFT-D study
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DOI: 10.1016/j.mtcomm.2020.101322
Abstract: Abstract The mechanism of CO oxidation on two-dimensional porphyrin sheet (TDPS)-supported single atom manganese was studied using density functional theory with dispersion (DFT-D). The molecular dynamics (MD) simulation based on the first principles has been… read more here.
Keywords: dimensional porphyrin; oxidation; supported single; two dimensional ... See more keywords