Friction properties of black phosphorus: a first-principles study

Based on the first-principle, the friction anisotropy, structural super-lubricity and oxidation induced ultra-low friction of black phosphorus at atomic scale under different loads have been studied. The results show that the interface friction of black phosphorus is anisotropic, that is, the friction along the armchair direction is greater than that along the zigzag direction. Moreover, the friction between the black phosphorus interfaces shows a structural superlubricity property, and the incommensurate interface friction is approximately one thousandth of the commensurate interface friction, which is mainly due to the less electronic charge and the smaller amplitude of electronic charge change between the incommensurate interfaces during the friction process. In addition, the oxidation of black phosphorus is beneficial for lubrication between interfaces.

Automated summary

Based on first-principles calculations, the friction anisotropy, structural super-lubricity, and oxidation-induced ultra-low friction of black phosphorus at atomic scale under different loads have been studied. The results reveal that the interface friction of black phosphorus is anisotropic, with greater friction along the armchair direction than the zigzag direction. Additionally, the friction between black phosphorus interfaces exhibits a structural superlubricity property, with incommensurate interface friction approximately one thousandth of the commensurate interface friction, primarily due to the lower electronic charge and smaller amplitude of electronic charge change between incommensurate interfaces during the friction process. Furthermore, the oxidation of black phosphorus enhances lubrication between interfaces.