Adsorption of as(OH)3 on the (001) surface of FeS2 pyrite: A quantum-mechanical DFT study

Journal of Physical Chemistry C

Volumn 111, Issue 30, 2007, Pages 11390-11396

  Blanchard, Marc ^a,c   Wright, Kate ^b   Gale, Julian D ^b   Catlow, C Richard A ^a  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b CURTIN UNIVERSITY   (Australia)

^c UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; PYRITES; SURFACE REACTIONS;

ARSENIC SEGREGATION; BIDENTATE COMPLEX; SURFACE PROCESSES;

ARSENIC;

EID: 34548278378     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp072468v     Document Type: Article

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