Zirconium (Zr) alloy fuel cladding is exposed to harsh environments such as high temperature and high pressure for a long time. Surface modification technology can effectively improve its high-temperature oxidation resistance. In this work, pulse laser nitriding technology was used to perform laser nitriding treatment on Zr alloys at different laser energies. The effect of different energy levels of laser nitriding treatments on the superheated steam corrosion resistance of Zr alloys was studied. First-principles was used to reveal the mechanism of how the diffusion layer improves the performance of Zr alloys in resisting superheated steam corrosion after nitriding treatment. Results indicate that the surface of Zr alloys treated with laser nitriding exhibits a molten feature. When the laser energy is 100 mJ, N mainly exists in the form of a diffusion layer in the Zr alloy substrate. As the laser energy rises to 200 mJ and above, the ZrN phase is generated. After 1000 h of superheated steam corrosion, the corrosion weight gain of the 100 mJ sample was reduced by approximately 50 % compared to the Zr alloy. The corrosion weight gain of the 400 mJ sample increased by approximately 12 %. The presence of the ZrN phase accelerates the oxidation degradation rate of Zr alloy. When N atoms exist as a diffusion layer, the transition from tetragonal zirconia to monoclinic zirconia can be suppressed. First-principles calculations showed that when O and N atoms coexist in the Zr alloy substrate, their binding performance with surface O is significantly decreases, thus further improving the 100 mJ sample's resistance to superheated steam corrosion.