Microkinetic study of the catalytic hydrodeoxygenation of guaiacol on transition metal surfaces: data

A microkinetic analysis of the guaiacol HDO conversion using five transition metal catalysts, Co (0001), Ni (111), Cu (111), Pd (111), and Pt (111), was performed from the density functional theory (DFT) data in DOI: 10.3389/fctls.2022.861364.

The dataset contains energies, sticking coefficients and concentration of species as a function of time and temperature, which lead to the manuscript (to be published) associated with this dataset.The dataset contains all the numerical values leading to the paper with the same name. It contains the sticking coefficients and the concentrations of any species in the microkinetic simulations at the temperatures and time range considered.

Research results based upon these data are available at https://doi.org/10.1002/cctc.202300671