Density functional theory study of pyrophyllite and M-montmorillonites (M = Li, Na, K, Mg, and Ca): Role of dispersion interactions

Journal of Physical Chemistry A

Volumn 115, Issue 34, 2011, Pages 9695-9703

  Voora, Vamsee K ^a,b   Al Saidi, W A ^a,c   Jordan, Kenneth D ^a,b  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^c University of Pittsburgh   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI EARTH METAL; CALCULATED VALUES; CATION RADII; DISPERSION CORRECTION; DISPERSION INTERACTION; EXPERIMENTAL VALUES; INTERLAYER DISTANCE; INTERLAYER SPACINGS; OXYGEN ATOM; TETRAHEDRAL SHEETS;

CARRIER CONCENTRATION; CLAY MINERALS; DISPERSIONS; ELASTIC MODULI; ELECTRON DENSITY MEASUREMENT; LATTICE CONSTANTS; METAL IONS; OXYGEN;

DENSITY FUNCTIONAL THEORY;

EID: 80052245404     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp201277f     Document Type: Article

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