Disulphide and metal sulphide formation on the reconstructed (0 0 1) surface of chalcopyrite: A DFT study

Applied Surface Science

Volumn 257, Issue 4, 2010, Pages 1319-1324

  De Oliveira, Cláudio ^a   Duarte, Hélio Anderson ^a  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

Chalcopyrite; DFT; Disulphide; Surface reconstruction

Indexed keywords

BINARY ALLOYS; CHEMICAL BONDS; COPPER ALLOYS; COPPER COMPOUNDS; ELECTRONIC STRUCTURE; METALS; SULFUR COMPOUNDS; SURFACE RECONSTRUCTION;

BOND DISTANCE; CHALCOPYRITE; DENSITY OF STATE; DISULPHIDE; ELECTRON LOCALIZATION FUNCTION; METAL-METAL BONDS; POPULATION ANALYSIS; SURFACE REACTIVITY;

IRON COMPOUNDS;

EID: 77957103193     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2010.08.059     Document Type: Article

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