In this study, the finite element method was used to simulate and analyze thermal stresses of molybdenum disulfide (MoS₂). Two models with or without microsized holes on the substrate were developed to simulate the distribution of thermal stresses, and thermal stresses of the two models were compared. Relationships between thermal stresses and temperature, MoS₂ layer thickness, and substrate thickness were analyzed. The thermal stress of the substrate supported MoS₂ was larger than that of the suspended MoS2. Moreover, the thermal stress of the MoS₂ surrounding the suspended MoS₂ was higher than that of the suspended part. Our results demonstrate that the thermal stresses of MoS₂ increased with decrease in temperature, decrease in MoS₂ thickness, and increase in substrate thickness.