To investigate the origin of ∆φ AIMD , we performed a decomposition analysis by estimating the electronic and orientational contributions to the ∆φ AIMD as discussed in the Methods Section. Figure shows the individual contributions of ∆φ orient and ∆φ el together with ∆φ AIMD for all the TM surfaces considered in this study. In agreement with previous studies, we find ∆φ el to be generally larger in magnitude for stronger binding surfaces (Pt, Pd, Ir, Rh, and Ru) and smaller in magnitude for weaker binding surfaces (Cu, Au, and Ag).