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Mechanical properties of double-layered borophene with Li-storage

Ideal tensile strength of double-layered borophene with Li-storage under uniaxial tension has been investigated by using first-principles density functional theory calculations. Both the elastic modulus and ultimate strain are calculated. It was found that the effect of the layer number on the elastic modulus of borophene can be neglected. Double-layered borophene is more stable than single-layer borophene by phonon calculation. With the number of Li atom storage in double-layered borophene is 12, the corresponding elastic modulus values in X and Y direction is 768 GPa and 241 GPa, respectively.