The CO Puzzle is Resolvable Using Self-Consistent DFT+U Calculations
Abstract
Fitted binding energies of CO on various metal surfaces at a UC=6.5 and UO=3.0. Addtionally, the raw coefficients are also supplied for each fitting of binding energy, vibrational properties, and bond lengths based on a 2D linear fit. Data is provided as CSV.
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 1 January 2026
- Document type
- Dataset