The turbulent forced convection heat transfer of water/functionalized multi-walled carbon nanotube (FMWCNT) nanofluids over a forward-facing step was studied in this work. Turbulence was modeled using the shear stress transport K-ω model. Simulations were performed for Reynolds numbers ranging from 10,000 to 40,000, heat fluxes from 1,000 to 10,000 W/m², and nanoparticle volume fractions of 0.00% to 0.25%. The two-dimensional governing equations were discretized with the finite volume method. The effects of nanoparticle concentration, shear force, heat flux, contraction, and turbulence on the hydraulics and thermal behavior of nanofluid flow were studied. The model predictions were found to be in good agreement with previous experimental and numerical studies. The results indicate that the Reynolds number and FMWCNT volume fraction considerably affect the heat transfer coefficient; a rise in local heat transfer coefficient was noted when both Reynolds number and FMWCNT volume fraction were increased for all cases. Moreover, the contraction of the channel passage leads to the formation of two recirculation regions with augmented local heat transfer coefficient value.