. 2024 Jan 30;14(4):2284–2299. doi: 10.1021/acscatal.3c05336

ER) at T = 523 K, P(H₂) = 0.528 bar, and P(CO₂) = 0.132 bar^a.

T = 523 K	Ni_Ce		Ni_O		h_Ce		h_O
species	W/ER	Wo/ER	W/ER	Wo/ER	W/ER	Wo/ER	W/ER	Wo/ER
CO	71.7 ± 0.1	67.7 ± 0.1	27.0 ± 0.1	30.2 ± 0.2
O	0.7 ± 0.1	6.6 ± 0.2	0	0.5 ± 0.1
OH	0.7 ± 0.1	0.5 ± 0.1	0	0
H₂					29.0 ± 0.3	29.3 ± 0.3	29.0 ± 0.3	29.3 ± 0.3
H					18.9 ± 0.2	17.3 ± 0.3	17.0 ± 0.2	15.6 ± 0.3
total	73.1	74.8	27.0	30.7	47.9	46.6	46.0	44.9

Note that the present values are calculated as the mean value of 5 different kMC simulations for each working condition and including the standard deviation.

Table 4. Coverage of the Different Species Considered at the Different Sites for the Simulations Including the ER Reactions (W/ER) and without Them (Wo/ER) at T = 523 K, P(H2) = 0.528 bar, and P(CO2) = 0.132 bara.

Table 4. Coverage of the Different Species Considered at the Different Sites for the Simulations Including the ER Reactions (W/ER) and without Them (Wo/ER) at T = 523 K, P(H₂) = 0.528 bar, and P(CO₂) = 0.132 bar^a.