Fig. 5. S 0 computed for N2 + Ru(0001) with MDEF and the RPBE DF using the Born–Oppenheimer static surface (BOSS) model,70 the Born–Oppenheimer moving surface (BOMS) model,70 and the non-Born–Oppenheimer moving surface (NBOMS) model with the LDFA and the ODF approximations69 are shown as a function of Ei. Experimental results are also shown. Figure taken from ref. 69 (https://pubs.acs.org/doi/10.1021/acs.jpclett.9b00523). Further permission requests to be directed to the ACS.
