Lubricating properties of molybdenum disulphur: a density functional theory study

The lubrication properties of MoS 2 have been described in terms of electronic interactions between MoS 2 sheets calculated through slab periodic density functional calculations. This approach is supported by experimental works on the ultrahigh vacuum friction of MoS 2 coatings of thicknesses in the...

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Veröffentlicht in:	Surface science 2001-01, Vol.472 (1), p.97-110
Hauptverfasser:	Chermette, H, Rogemond, F, El Beqqali, O, Paul, J.F, Donnet, C, Martin, J.M, Le Mogne, T
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysis Chemical Sciences Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Density functional calculations Density functional theory, local density approximation Electron states Exact sciences and technology Lubrication Mechanical and acoustical properties adhesion Methods of electronic structure calculations Molybdenum Photoelectron spectroscopy Physics Solid surfaces and solid-solid interfaces Sulphur Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Tribology
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Zusammenfassung:	The lubrication properties of MoS 2 have been described in terms of electronic interactions between MoS 2 sheets calculated through slab periodic density functional calculations. This approach is supported by experimental works on the ultrahigh vacuum friction of MoS 2 coatings of thicknesses in the micrometer range (Phys. Rev. 48 (14) (1993) 10583), and in boundary lubrication by molybdenum containing organic compounds, such as molybdenum dithiocarbamate (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 MoS 2 single sheets.
ISSN:	0039-6028 1879-2758
DOI:	10.1016/S0039-6028(00)00925-0