Some surface coatings can protect metal surfaces and reduce scale deposition. Based on that, the biomimetic material polydopamine (PDA) can form a stable coating on many material surfaces; therefore, we propose an efficient one-step electroplating method for preparing anti-scale PDA coatings with high stability. The scale deposition test showed that the deposition weight of calcium carbonate on the coating is less than that of carbon steel after immersing in a supersaturated solution of calcium carbonate for 12 h at 70 °C and 90 °C, with a coating scale-inhibition efficiency of 55.02% and 66.96%, respectively. By using molecular dynamics simulation, it was found that water adsorption layers exist near the metal’s surface, and the existence of water adsorption layers on the hydrophilic surface is the main reason for the initial deposition of calcium carbonate. The interaction energy between the PDA molecular layer and water is weaker (−5.69 eV) for the surface with the PDA coating, and there is no dense water adsorption layer on the coating, which leads to the low probability of calcium carbonate adsorption on the PDA coating surface. Therefore, PDA coating can inhibit the deposition of calcium carbonate on the surface.