Phonon mechanism of angle-dependent superlubricity between black phosphorus layers

Y Dong and WB Hui and ZY Rui and YS Ding and FM Lian and Y Tao, NANOSCALE, 15, 14122-14130 (2023).

DOI: 10.1039/d3nr01867a

Based on a combination of molecular dynamics simulations and quantum theories, this study discloses the phonon mechanism of angle-dependent superlubricity between black phosphorus layers. Friction exhibits 180 & DEG; periodicity, i.e., the highest friction at 0 & DEG; and 180 & DEG; and lowest at 90 & DEG;. Thermal excitation reduces friction at 0 & DEG; due to thermal lubrication. However, at 90 & DEG;, high temperature increases friction caused by thermal collision owing to lower interfacial constraints. Phonon spectra reveal that with 0 & DEG;, energy dissipation channels can be formed at the interface, thus enhancing dissipation efficiency, while the energy dissipation channels are destroyed, thus hindering frictional dissipation at 90 & DEG;. Besides, for both commensurate and incommensurate cases, more phonons are excited on atoms adjacent to the contact interface than those excited from nonadjacent interface atoms.

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