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. 2018 May 29;9(12):3271–3277. doi: 10.1021/acs.jpclett.8b01470

Figure 2.

Figure 2

Comparison of dissociative sticking probability (S0) of O2 on Al(111) obtained with the RPBE adiabatic PES (blue diamonds),19 RPBE-triplet PES (green open triangles),19 surface-hopping (SH) method with a maximal (Vmax, green filled triangles) and a minimal coupling (Vmin, green half-filled triangles) between the triplet and singlet states,21 and ECW FPLEPS PES (red circles) with experiment13 (black squares) as a function of translational energy.