Ag-Cu catalysts for CO2 reduction

The dataset contains the absolute energy values derived from quantum mechanical atomistic simulations supporting the results in the paper "Cu-Ag Gas Diffusion Electrodes for Electrochemical CO₂ Reduction to Multi-carbon Products". It includes detailed information on energy values calculated for the systems of interest. This data is a foundation for analysing the structural changes and processes occurring and observed in the Cu-Ag gas diffusion electrodes during the experiments. It provides valuable insights into their performance decay during electrochemical CO2 reduction.