Hydrodeoxygenation of Guaiacol {Over|More than} Orthorhombic Molybdenum Carbide: A DFT and Microkinetic Study
The hydrodeoxygenation of guaiacol is modelled {over|more than} a ({100|one hundred}) β-Mo2C surface {using|utilizing|making use of|employing|working with|applying} density functional theory and microkinetic simulations. The thermochemistry {of the|from the|in the|on the|with…