Density functional theory study of ferrihydrite and related Fe-oxyhydroxides

Chemistry of Materials

Volumn 21, Issue 24, 2009, Pages 5727-5742

  Pinney, Nathan ^a   Kubicki, James D ^b   Middlemiss, Derek S ^c   Grey, Clare P ^c   Morgan, Dane ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC AND MAGNETIC STRUCTURES; BULK CRYSTALLINE; CRYSTALLINITIES; D-ELECTRONS; FE ATOMS; FERRIHYDRITES; FORMATION ENERGIES; HEISENBERG MODELS; LEPIDOCROCITE; LIQUID WATER; MAGNETIC COUPLING CONSTANTS; MAGNETIC ORDERING; OXYHYDROXIDES; SMALL PARTICLE SIZE; SURFACE ENERGIES; SURFACE FORMATION ENERGY; THERMODYNAMIC QUANTITIES; UNIT CELLS;

CRYSTALLINE MATERIALS; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ERRORS; HEMATITE; IRON ORES; MAGNETIC COUPLINGS; MAGNETIC PROPERTIES; NANOPARTICLES; NEON; OXIDE MINERALS; PROBABILITY DENSITY FUNCTION; SURFACE CHEMISTRY; SURFACE TENSION; THERMODYNAMICS;

THERMODYNAMIC STABILITY;

EID: 72949086704     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm9023875     Document Type: Article

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