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According to [16, 17], phosphorene exhibits a specific capacity of 2,596 mAh/g, which is larger than the ones of sulfur and graphene. In addition, the discharge potential in phosphorene, that ranges in the interval [0.4–1.2] V, is smaller than 2.1 V obtained for lithium/sulfur battery [18]. It follows that 2D BP is a potential candidate for new generation of battery [10]. Compared to 2D anode materials, such as graphene and MoS₂, phosphorene exhibits an ultrahigh diffusivity, that is 10²–10⁴ times faster. This is owing to its strong anisotropic diffusion barrier that is 0.68 eV, with respect to the small value of 0.08 eV found in the ZZ-axis. Furthermore, phosphorene-based Li battery shows a voltage of 2.9 V which is larger than the one of other 2D layered materials, making this kind of battery of potential use as a rechargeable battery for different electronic and energetic devices.