Combined density functional theory and interatomic potential study of the bulk and surface structures and properties of the iron sulfide mackinawite (FeS)

Journal of Physical Chemistry C

Volumn 112, Issue 29, 2008, Pages 10960-10967

  Devey, A J ^a   Grau Crespo, R ^a   De Leeuw, N H ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

IRON; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY CALCULATIONS; HUBBARD; INTER-ATOMIC POTENTIAL; IRON SULFIDES;

DENSITY FUNCTIONAL THEORY;

EID: 49149123878     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8001959     Document Type: Article

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