Molybdenum-99 (99Mo) is used for preparing Technetium-99 m (99mTc), which is the most widely used isotope in nuclear medicine. In this work, a study for 99Mo production based on a high-power electron accelerator has been performed as an alternative approach to produce 99mTc. In this study, Monte Carlo MCNPX2.6 code has been used to examine a novel idea of simultaneous hybrid production of 99Mo via both photoneutron and neutron capture reactions using an electron accelerator in heavy water tank. It is expected that this conceptual design including an arrangement of metallic plates of 100Mo and 98Mo produces total activity of 97.5 Ci at the end of 20-h continuous e-beam irradiation (30 MeV, 10 mA).