Willows are promising candidates for phytoremediation, but the lead (Pb) phytoremediation potential of different willow ploidy and sex has not yet been exploited. In this study, the Pb uptake, translocation and detoxification capacities of hexaploid and diploid, female and male Salix rehderiana were investigated. The results showed that Pb treatment inhibited biomass accumulation and gas exchange, caused ultrastructural and oxidative damage, and induced antioxidant, phytohormonal and transcriptional regulation in S. rehderiana. Absorbed Pb was mainly accumulated in the roots with restricted root-to-shoot transport. Despite lower biomass, greater transpiration, phytohormonal and transcriptional regulation indicated that hexaploid S. rehderiana had higher tissue Pb concentration, total accumulated Pb amount (4.39 mg, 6.19 mg, 6.60 mg and 10.83 mg in diploid and hexaploid females and males, respectively) as well as bioconcentration factors and translocation factors (0.412, 0.593, 0.921 and 1.320 for bioconcentration factors in roots, and 0.029, 0.032, 0.035 and 0.047 for translocation factors in diploid and hexaploid females and males, respectively) than diploids. Higher soil urease and acid phosphatase activities also favored hexaploids to use more available N and P than diploids in Pb-contaminated soils. Additionally, hexaploid S. rehderiana had stronger antioxidant, phytohormonal and transcriptional responses, and displayed less morphological and ultrastructural damage than diploids after Pb treatment, suggesting that hexaploids have greater Pb uptake, translocation and detoxification capacities than diploids. Moreover, S. rehderiana males had greater Pb uptake and translocation abilities, as well as stronger antioxidant, phytohormonal, and transcriptional regulation mediated Pb detoxification capacities than females. Therefore, hexaploid S. rehderiana are superior to diploids, and males are better than females in Pb phytoremediation. This study provides novel and valuable insights for selecting better willow materials to mitigate Pb contamination.