Browsing Institute of Advanced Materials (INAM) by Source "ChemCatChem, 2020, vol. 12, no 7"
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Recent Developments in the Modelling of Heterogeneous Catalysts for CO2 Conversion to Chemicals
Wiley-VCH Verlag (2020-04-06)Density functional theory (DFT) of the CO2 behavior on the catalyst surface provides valuable insights about the C=O bond activation, information about adsorption and dissociation of CO2, understanding the elementary steps ...