Unlike some other minerals, ice nucleation does not occur for the α-Fe 2 O 3 (0001) surface due to the large mismatch with the basal plane triangular lattice. surfaces, W sl was strongly dependent on solid-liquid interaction strength, with W sl being overestimated in all cases. For hydroxylated surfaces without water (filled markers, 0 ML), W sl was reduced with respect to the non-hydroxylated anhydrous surfaces (unfilled markers, 0 ML) for all three FFs. W sl was still overestimated compared to the experimental value, apart from the low interaction strength FF (ClayFF 14 ), where surface hydroxylation alone led to good agreement. For the other two FFs (INTERFACE-FF and Savio et al. ), the inclusion of a partial water monolayer (0.5 ML) led to a further reduction in W sl ; however, we still observed a considerable overestimation in W sl . Increasing the water film thickness led to further reductions in W sl for the intermediate and strong interaction FFs, while W sl for the weak interactions remained consistent with the experimental value. For intermediate interactions, W sl aligned with the experimental value at water coverages ≥ 1.0 ML, whereas for strong interactions, agreement was only achieved at a film thickness of ≥ 3.0 ML. When the water layer is included, the hematite/PAO4 interactions are screened, and the work of adhesion eventually becomes dominated by the water/PAO4 interactions. The stronger the hematite/PAO4 interactions, the thicker the water film required to fully screen them. Once these interactions are fully screened, W sl becomes independent of the water coverage and consistently matches the experimental value. The result at 4.0 ML effectively represents W sl for the water/PAO4 interface, as the PAO4 is decoupled from hematite surface due to the thickness of the water film. This result is in reasonable agreement with the expected value from the work of Aveyard and Haydon (W sl = 52 mJ m -2 ), based on the number of methylene and methyl groups in the PAO4 molecules. To quantify the ITR of the hematite/water/PAO4 interface, we considered the overall interfacial thermal resistance, R T otal , using a thermal circuit in series,