Hydrogen energy has been regarded as the modern trend towards future energy resources. Above all, hydrogen storage is the most critical aspect of the hydrogen energy utilization system. Graphene, as an outstanding representative of carbon-based materials, has become the hot spot for hydrogen storage due to its unique structure and properties. In my own work, grand canonical Monte Carlo method is adopted to investigate the hydrogen storage properties of graphene. The influence of Li doping on the hydrogen storage properties of graphene are analyzed and discussed. It is found that doping with Li has no obvious effects on physical adsorption of H2. In room temperature, doping with Li has occupied the position which should absorb hydrogen, thus resulted into a sharpe decrease in gravimetric uptake and volumetric uptake of graphene. Additionally, the more doping with Li, the more decrease in gravimetric uptake and volumetric uptake. However, gravimetric uptake and volumetric uptake can rise slightly, when doping graphene with Li at low temperature (77K) and high pressure (6000kPa).