Characterization of bulk structure in zinc orthotitanate: A density functional theory and EXAFS investigation

Journal of the American Ceramic Society

Volumn 91, Issue 2, 2008, Pages 584-590

  Rankin, Rees B ^a   Campos, Andrew ^b   Tian, Hanjing ^c   Siriwardane, Ranjani ^c   Roy, Amitava ^b   Spivey, James J ^b   Sholl, David S ^d,e   Johnson, J Karl ^a,e  

^a University of Pittsburgh   (United States)

^b LOUISIANA STATE UNIVERSITY   (United States)

^c NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^d CARNEGIE MELLON UNIVERSITY   (United States)

^e NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER EXPANSION MODEL; OCTAHEDRAL SITE OCCUPATION; X-RAY ABSORPTION;

DENSITY FUNCTIONAL THEORY; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; GASIFICATION; GROUND STATE; MONTE CARLO METHODS; POWER PLANTS;

ZINC;

EID: 38949115267     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/j.1551-2916.2007.02186.x     Document Type: Article

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