Gobi solar greenhouses (GSGs) enhance energy, food, and financial security in Gobi Desert regions through passive solar utilization. Thermal mass walls are critical for plant thermal comfort in GSGs but can lead to resource waste if poorly designed. This study pioneers the integration of payback period constrains into thermal mass wall optimization, establishing a new performance-cost trade-off approach for GSG wall design, balancing thermal performance and economic feasibility. We quantified energy-conserving benefits against wall-construction costs to derive the optimal inner-layer thicknesses under <25% GSG lifespan payback criteria. Three GSG thermal mass walls in China's Hexi Corridor were optimized. For the concrete-layered, stone-layered, and pebble-soil walls, the optimum inner-layer thicknesses were 0.47, 0.65, and 1.24 m, respectively, with extra costs of 620.75, 767.60, and 194.56 RMB yuan; annual energy-conserving benefits of 82.77, 102.35, and 51.88 RMB yuanyr(-1); and payback periods of 7.5, 7.5, and 3.75 years. A dynamic thermal load analysis confirmed that GSGs with optimized walls required no heating during a sunny winter solstice night. Cooling loads of 33.15-35.27 kW further indicated the potential to maintain thermal comfort under colder weather conditions. This approach improves plant thermal comfort cost-effectively, advancing sustainable Gobi agriculture.