Coverage-dependent adsorption mode of water on Fe3O 4(001): Insights from first principles calculations

Journal of Physical Chemistry C

Volumn 114, Issue 25, 2010, Pages 11148-11156

  Mulakaluri, Narasimham ^a,b   Pentcheva, Rossitza ^b   Scheffler, Matthias ^b  

^a UNIVERSITY OF MUNICH   (Germany)

^b FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATE-SUBSTRATE INTERACTIONS; ADSORPTION MODES; ADSORPTION OF WATER; CLEAN SURFACES; COULOMB REPULSIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC MECHANISMS; FIRST-PRINCIPLES CALCULATION; HYDROXYL GROUPS; OH GROUP; OXYGEN DEFECT; REPULSIVE INTERACTIONS; SURFACE OH GROUP; SURFACE OXYGEN; SURFACE SPECIES; UNIT CELLS; WATER DISSOCIATION; WATER MOLECULE;

ADSORBATES; ADSORPTION; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULES; OXYGEN; PROTONS; SURFACE STRUCTURE;

DEWATERING;

EID: 77954043211     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp100344n     Document Type: Article

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