Infertility is a serious public health problem worldwide. Molybdenum (Mo) plays an important role in maintaining normal metabolism. To explore the therapeutic efficacy of molybdenum (Mo) on male infertility, 90 mice were randomly divided into control, busulfan and busulfan + Mo groups. The male mice in the busulfan and busulfan + Mo groups were exposed to busulfan (20 mg/kg body weight) with a single intraperitoneal injection to establish the infertility model. The sterile mice were successfully obtained 30 days after busulfan exposure. Then, the male mice in the busulfan + Mo group were given drinking water containing 20 mg/L Mo continuously for 42 days. At 72 Day after treatment, 30 mice in the three groups were tested for various indices, and 60 mice were mated with females in spontaneous estrus. Mo significantly reversed the thinner seminiferous tubules and disappeared tubule and germ cells. Mo also normalized previously abnormal levels of testosterone, estradiol, luteinizing hormone, superoxide dismutase, lactate dehydrogenase, malondialdehyde. Furthermore, expression levels expression of Bax, Bcl-2, caspase-3 and caspase-9 returned to control levels; and finally, Mo-treated sterile mice obtained offspring with normal number and gender ratio. These results suggested that Mo at 20 mg/L had a significant therapeutic effect on reproductive dysfunction in sterile mice. Its mechanism could via repair of damaged testicular structures, regulation of abnormal reproductive hormone levels, decreased oxidative stress or and resistance to cell apoptosis. Mo may be a new candidate medicine for treatment of male infertility.