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The application discloses a metal atom modified double-layer double-vacancy graphene hydrogen storage material construction method, and obtains 5555-6-7777 vacancy graphene through rotation of a vacancy bond, obtains a stable double-layer structure after B atom doping, and uses Ti atoms with large mass and many charges to modify an inner layer and uses Li atoms with small mass and few charges to modify an outer layer. The application also discloses a metal atom modified double-layer double-vacancy graphene hydrogen storage material, which is constructed by the construction method. The application further discloses a calculation method of interlayer adsorption energy of the metal atom modified double-layer double-vacancy graphene hydrogen storage material, and the interlayer adsorption energy formula is updated by calculating interlayer electrostatic force calculation parameters, and it is also found that the inner and outer layers of the hydrogen storage system as a whole have a maximum hydrogen storage threshold.