In this article, the molecular dynamics method is used to study the rapid boiling phenomenon of Cu-H2O nanofluids on the hydrophilic wall, hydrophobic wall, and hydrophilic-hydrophobic hybrid wall (HW), revealing the influence of the hybrid wall on the vaporisation form and boiling heat transfer of the nanofluid. The simulation system is divided into three parts: liquid water molecules, a hydrophilic copper nanoparticle, and copper walls. When the wall temperature is 700 K, the influence of the hydrophilic wall, the hydrophobic wall, and the HW of three different ratios (0.1:0.9, 0.5:0.5, 0.9:0.1) on the vaporisation form and boiling heat transfer of the nanofluid is discussed. The results show that compared with the hydrophilic or hydrophobic wall, the HW changes the vaporisation form of the nanofluid on the wall, and the HW is beneficial to improve the boiling heat transfer performance of the nanofluid. Moreover, the higher the ratio of the hydrophilic side of the HW, the earlier the liquid will boil, the higher the liquid temperature, the greater the potential energy of solid-liquid interaction, which is conducive to improve the boiling heat transfer.