Mechanism and activity of CO oxidation on (001) and (110) surfaces of spinel Co3O4, NiCo2O4 and NiFe2O4: A DFT + U study
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DOI: 10.1016/j.susc.2018.08.002
Abstract: Abstract We carried out density functional theory (DFT) calculations with on-site Hubbard U repulsion (DFT + U) to investigate the mechanism and activity of the CO oxidation reaction (COOR) on pristine and oxygen-deficient (001) and (110) surfaces… read more here.
Keywords: activity oxidation; dft; oxidation; mechanism activity ... See more keywords
Regioselectivity of oxidation by a polysaccharide monooxygenase from Chaetomium thermophilum
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DOI: 10.1186/s13068-018-1156-2
Abstract: BackgroundPolysaccharide monooxygenases (PMOs) of the auxiliary activity 9 (AA9) family have been reported to oxidize C1, C4, and C6 positions in cellulose. However, currently no direct evidence exists that PMOs oxidize C6 positions in cellulose, and… read more here.
Keywords: activity oxidation; oxidation; oxidation cellulose; ctpmo1 ... See more keywords