Abstract:China is currently at a critical stage in optimizing its industrial structure to mitigate the energy rebound effect. Under the premise of rationalizing the industrial structure, the fundamental goal of optimization is to pursue the advancement of industrial structure to a higher level. However, excessive industrial structure upgrading will lead to the phenomenon of overstepping in the process of industrial structure optimization. To analyze the theoretical mechanism by which industrial structure optimization affects the energy rebound effect, as well as to elucidate the process of industrial structure optimization and its hypothesized impact on the energy rebound effect, the level of industrial structure optimization in 30 provinces of China from 2005 to 2022 from the dimensions of rationalization level and upgrading level is measured. The inhibitory role of rationalization and upgrading on energy rebound effect is verified by using a benchmark regression model. A dynamic panel threshold regression model is employed to test the nonlinear relationship between upgrading and energy rebound effect, and to reveal the impact of the advancement in industrial structure upgrading overstepping on its inhibitory role. Furthermore, the changes in threshold values of nonlinear relationships in different regions are analyzed, and the regional differences in the role of overstepping the level of industrial structure upgrading on energy rebound effect are explored. The results indicate that the rationalization and upgrading of industrial structure both play inhibitory roles on energy rebound effect, and there are interval differences in the inhibitory roles under different levels of rationalization. When the rationalization level exceeds the threshold value of 1.395 8, the overstepping of industrial structure upgrading will negate the inhibitory effect of industrial structure optimization on the energy rebound effect. To address this, the basic principle of rationalization should be followed, enhancing industrial structure optimization from both rationalization and advancement perspectives, and developing targeted industrial policies for different regions.