Abstract: A fundamental understanding of the influence of electronic transfer with varying sliding positions and loads on friction plays a vital role in elucidating the tribological properties and applications of a material in nanomechanics. We get the absorption energies of different planar distances and the potential energies of different sliding positions. Then we obtain the relationship of the friction coefficient dependence on normal force. The results suggest that the friction coefficient decreases and then increases with increasing normal force. It is attributed to the properties that h-BN is an ionic covalent compound and gives rise to electronic transfer when the normal force and sliding distance are changed. 

KeyWords Plus: GENERALIZED GRADIENT APPROXIMATION; ACCURATE; ENERGY 

Published in RSC ADVANCES, 5 (128):106239-106244; 10.1039/c5ra19540c 2015