Density-functional theory studies of xanthate adsorption on the pyrite FeS2(110) and (111) surfaces

Journal of Chemical Physics

Volumn 118, Issue 13, 2003, Pages 6022-6029

  Hung, Andrew ^a   Yarovsky, Irene ^a   Russo, Salvy P ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; CALCULATIONS; CHEMICAL BONDS; COMPUTER SIMULATION; DISSOCIATION; ELECTRONIC STRUCTURE; MOLECULES; PROBABILITY DENSITY FUNCTION; PYRITES; SURFACES;

DENSITY FUNCTIONAL THEORY; PLANE WAVE PSEUDOPOTENTIAL BASIS SET; SOFTWARE PACKAGE VASP; XANTHATE;

SULFUR COMPOUNDS;

EID: 0037399055     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1556076     Document Type: Article

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