Abstract
Amorphous CNx films show low friction coefficients in inert atmospheres, but the mechanism is still not well understood. Here we find that, by first-principles calculations, the dangling bonds on a diamond (111) surface are replaced with lone-pairs when nitrogen atoms are doped in the 1st or the 2nd top layer, and an ‘electron transfer passivation mechanism’ is identified. Then, two feasible ways for nitrogen atoms to present in the surface layer during the process of wear are suggested. On the basis of the insights gained, we propose a mechanism that highlights the positive role of the nitrogen lone-pairs in the formation of a weak-interacting interface between the friction-induced ‘graphitized’ layer and the intact below part, which is believed to be the reason for the low-frictions of CNx films in inert atmospheres.
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