Lubricating properties of molybdenum disulphur: a density functional theory study

被引:19
作者
Chermette, H
Rogemond, F
El Beqqali, O
Paul, JF
Donnet, C
Martin, JM
Le Mogne, T
机构
[1] Univ Lyon 1, Lab Chim Phys Theor, F-69622 Villeurbanne, France
[2] Inst Rech Catalyse, UPR CNRS 5401, F-69622 Villeurbanne, France
[3] Ecole Cent Lyon, CNRS UMR 5513, Lab Tribol & Dynam Syst, F-69131 Ecully, France
关键词
density functional calculations; photoelectron spectroscopy; lubrication; tribology; molybdenum; sulphur;
D O I
10.1016/S0039-6028(00)00925-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The lubrication properties of MoS2 have been described in terms of electronic interactions between MoS2 sheets calculated through slab periodic density functional calculations. This approach is supported by experimental works on the ultrahigh vacuum friction of MoS2 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 MoS2 single sheets. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:97 / 110
页数:14
相关论文
共 52 条
[1]   Interpretation of STM images: The MoS2 surface [J].
Altibelli, A ;
Joachim, C ;
Sautet, P .
SURFACE SCIENCE, 1996, 367 (02) :209-220
[2]  
[Anonymous], [No title captured], DOI DOI 10.1016/0021-9991(92)90277-6
[3]   Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J].
Baerends, E. J. ;
Ellis, D. E. ;
Ros, P. .
CHEMICAL PHYSICS, 1973, 2 (01) :41-51
[4]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[5]   X-RAY PHOTOELECTRON-SPECTROSCOPY CHARACTERIZATION OF AMORPHOUS MOLYBDENUM OXYSULFIDE THIN-FILMS [J].
BENOIST, L ;
GONBEAU, D ;
PFISTERGUILLOUZO, G ;
SCHMIDT, E ;
MEUNIER, G ;
LEVASSEUR, A .
THIN SOLID FILMS, 1995, 258 (1-2) :110-114
[6]   ENCAPSULATION OF POLYMERS INTO MOS2 AND METAL TO INSULATOR TRANSITION IN METASTABLE MOS2 [J].
BISSESSUR, R ;
KANATZIDIS, MG ;
SCHINDLER, JL ;
KANNEWURF, CR .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1993, (20) :1582-1585
[7]   ELECTRONIC-STRUCTURE OF MOSE2, MOS2, AND WSE2 .1. BAND-STRUCTURE CALCULATIONS AND PHOTOELECTRON-SPECTROSCOPY [J].
COEHOORN, R ;
HAAS, C ;
DIJKSTRA, J ;
FLIPSE, CJF ;
DEGROOT, RA ;
WOLD, A .
PHYSICAL REVIEW B, 1987, 35 (12) :6195-6202
[8]   Systematic x-ray photoelectron spectroscopy and theoretical studies of disulfides of groups IVB, VB and VIB transition metals [J].
Dartigeas, K ;
Benoist, L ;
Gonbeau, D ;
PfisterGuillouzo, G ;
Ouvrard, G ;
Levasseur, A .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1997, 83 (01) :45-58
[9]   GENERALIZED-GRADIENT-APPROXIMATION DESCRIPTION OF BAND SPLITTINGS IN TRANSITION-METAL OXIDES AND FLUORIDES [J].
DUFEK, P ;
BLAHA, P ;
SLIWKO, V ;
SCHWARZ, K .
PHYSICAL REVIEW B, 1994, 49 (15) :10170-10175
[10]   Electrical properties of molybdenum disulfide MoS2.: Experimental study and density functional calculation results [J].
El Beqqali, O ;
Zorkani, I ;
Rogemond, F ;
Chermette, H ;
Ben Chaabane, R ;
Gamoudi, M ;
Guillaud, G .
SYNTHETIC METALS, 1997, 90 (03) :165-172