Incorporation of Transition Metal into Gallium Oxide for Isobutane Dehydrogenation Using Carbon Dioxide as the Oxidant

-ODHB. The reduction in apparent activation energy from 74.52 to 54.98 kJ/mol revealed that these structural modifications strengthened the interaction between the catalyst and reactants. Density functional theory (DFT) calculations further demonstrated that the Ti sites optimized the reaction pathway by lowering the energy of reaction intermediates.