Research Data Supporting "Chemical Softness as a Predictor for Reactivity at Metal Surfaces"
Abstract
This deposit contains files generated by the CASTEP code, concerning the response of metal surfaces (either clean or covered with carbon monoxide) to excess surface charge. Also included are files derived from these, relevant to work function, electrostatic potential, and chemical softness. In-house computer code relating to the analysis is also included, For more details, see the ReadMe file.
Fields of Study & Subjects
Advanced Chemical Physics Studies
Surface and Thin Film Phenomena
Surface Chemistry and Catalysis
Publication details
- Journal / source
- Apollo (University of Cambridge)
- Publication date
- 5 March 2026
- Language
- EN
- Document type
- Dataset