DFT calculation on relaxation and electronic structure of sulfide minerals surfaces in presence of H2O molecule

This publication has 17 references indexed in Scilit:

• Quantum-mechanical study of effect of lattice defects on surface properties and copper activation of sphalerite surface
  Transactions of Nonferrous Metals Society of China, 2010
• Relaxations and Interfacial Water Ordering at the Corundum (110) Surface
  The Journal of Physical Chemistry C, 2010
• Effect of vacancy defects on electronic properties and activation of sphalerite (110) surface by first-principles
  Transactions of Nonferrous Metals Society of China, 2010
• Pyrite–water interactions: Effects of pH and pFe on surface charge
  Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2005
• Ab initio simulation of water interaction with the (100) surface of pyrite
  The Journal of Chemical Physics, 2003
• A quantum-mechanical study of the (110) surface of sphalerite (ZnS) and its interaction with Pb 2+ species
  Physics and Chemistry of Minerals, 2003
• Study on interaction energy between flotation reagent and mineral surface
  Journal of Central South University of Technology, 1998
• Surface Reactions in Aqueous Metal Sulfide Systems
  Journal of Colloid and Interface Science, 1994
• Surface reactions in aqueous metal sulfide systems. 1. Fundamental surface reactions of hydrous PbS and ZnS
  International Journal of Mineral Processing, 1991
• Surface reactions in aqueous metal sulfide systems
  Journal of Colloid and Interface Science, 1991