Fig. 2: Adsorption energy errors before and after cluster correction.
From: Adsorption energies on transition metal surfaces: towards an accurate and balanced description
Error comparison between adsorption energies using PBE+D3 (blue) and the corrected values based on our approach (orange). Systems to the left (N/Ni(100) to I/Pt(111)) are characterized as chemisorption (light purple background fill) while systems on the right (NH3/Cu(100) onwards) are dominated by van der Waals interactions—physisorption (light green background fill). Source data are provided as Source data file.
