Frictional behavior of two-dimensional BxN (x=2, 3 and 5) induced by composite bond networks

It is well known that different bonding networks, while having similar elemental and structural characteristics, can bring a wide variety of physical properties to the material. In this paper, we present first-principles calculations of the frictional behavior and electronic structure of two-dimensional (2D) boron-rich materials B x N (x = 2, 3 and 5). The calculations show that, apart from the significant differences in electrical properties, the special bonding environment in these boron-rich materials also leads to very different friction behaviors. Through analysis the bonds strengths of intralayer, as well as the transfer of interface charges, we discovered that this remarkable friction behavior is due to the synergistic effect of the complex bonding network and the evolution of interface charges. This study, starting from the basic physical mechanisms, reveals the friction behavior of 2D boron-rich B x N compounds, providing useful insights for their widespread application in mechanical electronic devices.