Density functional theory study of CO 2 capture with transition metal oxides and hydroxides

Journal of Chemical Physics

Volumn 136, Issue 6, 2012, Pages

  Zhang, Bo ^a,b   Duan, Yuhua ^a   Johnson, Karl ^a,b  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b University of Pittsburgh   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION-DESORPTION; CAPTURE REACTION; CONVEX HULL; ENERGY CONTRIBUTION; ENTHALPIES OF FORMATION; EQUILIBRIUM PROPERTIES; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL PHASE EQUILIBRIA; FORMATION ENTHALPY; FUNCTIONAL CALCULATIONS; FUNCTIONALS; PARTIAL CANCELLATION; REACTION EQUILIBRIUM; TOTAL ENERGY; TRANSITION-METAL OXIDES;

ENTHALPY; LATTICE VIBRATIONS; LIGHT WEIGHT ROLLING STOCK; MANGANESE; SOLIDS; STATISTICAL MECHANICS; THERMODYNAMICS; TRANSITION METALS;

CARBON DIOXIDE;

EID: 84863150847     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3684901     Document Type: Conference Paper

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