Table 2 Contribution of different entropic terms for δ = 0.03 and temperature of 1500 K
From: Giant onsite electronic entropy enhances the performance of ceria for water splitting
Method | \(\frac{\bf 1}{\bf 2}{\bf S}_{{{\bf{O}}_{\bf 2}}}^{\bf 0}\) | ΔS vib | ΔS conf | \({\bf {\Delta }} {\bf S}_{{\bf{elec}}}^{{\bf{onsite}}}\) | ΔS tot | \({\bf {\Delta }} {\bf S}_{{\bf{exp}}}^{{\bf{tot}}}\) |
|---|---|---|---|---|---|---|
Ideal | 15.2 | 2.5 | 10.4 | – | 28.1 | |
MC | 15.2 | 5.9 | – | 21.1 | 26.1 | |
MC + \(\Delta S_{{\rm{elec}}}^{{\rm{onsite}}}\) | 15.2 | 5.9 | 4.26a | 25.4 |
