Chemical Research in Chinese Universities ›› 1995, Vol. 11 ›› Issue (4): 306-311.

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A Study on Molybdenite Electronic Structure

LONG Xiang-yun, WANG Feng-zhen   

  1. Dept . of Chem., Central South University of Technology, Changshaha 410083
  • Received:1995-02-24 Online:1995-12-24 Published:2011-08-17

Abstract: The present paper covers thedectronic structure of Molybdenite(MoS2)with layer structure studied using tight-binding energy band structure calculation and localization molecular orbital CNDO/2 method,and the bonding characters of Mo-- Mo,S--S and Mo==Satomic pairs in MoS2 crystal are discussed.

Key words: Molybdenite, Band structure, Electronic structure