Table 1. TPD Analysis and Comparison to DFT^a.

desorption peak and T	coverage (D2O/u.c.)	DFT Eb (eV)	TPD Ed (eV)	TPD ν (s–1)
ζ (446 K)	1	1.28	1.38 ± 0.07	2 × 1014
ε (402 K)	2	1.19	1.21 ± 0.06	1 × 1014
δ (353 K)	3	1.06	1.05 ± 0.04	1 × 1014
γ (265 K)	6	0.89	0.90 ± 0.06	5 × 1015
RE (200 K)	9	0.80	0.62 ± 0.05	1 × 1013
β (193 K)	18	0.68	0.61 ± 0.04	5 × 1014
α (152 K)	28	0.66	0.55 ± 0.02

^aCoverages and calculated binding energies E_b together with desorption energies E_d and pre-factors ν of the individual TPD desorption peaks are given.