Research data for "Electrochemical Potential Pulses Steer the CO2 Reduction Reaction Selectivity on Single-Atom Centers of Ti3C2Tx MXene by Surface Reconstruction"
Abstract
This dataset supports the paper "Electrochemical Potential Pulses Steer the CO2 Reduction Reaction Selectivity on Single-Atom Centers of Ti3C2Tx MXene by Surface Reconstruction" () The dataset contais: Inputs and outputs of the different DFT calculations Python scripts to analyze the DFT results and to create the figures in the paper.
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 11 June 2026
- Document type
- Dataset