Density functional theory study of water adsorption on FeOOH surfaces

Surface Science

Volumn 606, Issue 21-22, 2012, Pages 1623-1632

  Otte, Katrin ^a   Schmahl, Wolfgang W ^a   Pentcheva, Rossitza ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

Akaganeite; Goethite; Lepidocrocite; Water adsorption

Indexed keywords

AKAGANEITE; BINDING CONFIGURATION; COULOMB REPULSIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; FERROUS IRON; GOETHITE; HYDROXYLATED SURFACES; LEPIDOCROCITE; OXIDATION STATE; OXYGEN-TERMINATED SURFACES; STABLE SURFACES; STANDARD CONDITIONS; SURFACE HYDROXYL; SURFACE PHASE; SURFACE STABILITY; SURFACE TERMINATION; WATER ADSORPTION;

ADSORPTION; CHEMISORPTION; ELECTRONIC PROPERTIES; ENERGY GAP; HYDROGEN; IRON; PHASE DIAGRAMS;

DENSITY FUNCTIONAL THEORY;

EID: 84865274703     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.07.009     Document Type: Article

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