Lubricating properties of molybdenum disulphur: a density functional theory study

The lubrication properties of MoS2 have been described in terms of electron ic interactions between MoS2 sheets calculated through slab periodic densit y functional calculations. This approach is supported by experimental works on the ultrahigh vacuum friction of MoS2 coatings of thicknesses in the mi crometer range (Phys, Rev. 48 (14) (1993) 10583), and in boundary lubricati on by molybdenum containing organic compounds, such as molybdenum dithiocar bamate (J. Vac. Sci. Technol. A 17 (1999) 884). In this latter case we have shown that the friction reducing effect is ensured by in situ formed MoS2 single sheets. (C) 2001 Elsevier Science B.V. All rights reserved.