Source data for "Decoupling Strain and Ligand Effects in Catalysis via Gradient High-Entropy Alloys"
Abstract
Source data for "Decoupling Strain and Ligand Effects in Catalysis via Gradient High-Entropy Alloys"The data included the OH* adsorption enrgies and the electronic properites of the acitve site Pt atoms of Mix-HEA, Pt-gradient HEA and the design HEA systems; the bader charge source data for Pt-gradient HEA; the atomic dipole statistical result of Pt-gradient HEA.The relevant structural optimization source data will be uploaded as soon as possible.
Publication details
- Journal / source
- Figshare
- Publication date
- 1 January 2026
- Document type
- Dataset