Mesopore-Augmented Electrochemical CO2 Reduction on Nitrogen-Doped Carbon

The present dataset will contain the atomistic modeling associated with the manuscript with the same title. The dataset includes the optimized structures of each system in the attached spreadsheet and a model input file for the VASP simulation package. The spreadsheet contains the energy values and simple calculations of the adsorption and reaction energies associated with the CO2 reduction process.