Density-functional theory investigation of oxidative corrosion of UO 2

Computational and Theoretical Chemistry

Volumn 987, Issue , 2012, Pages 90-102

  Chaka, Anne M ^a   Oxford, Gloria A E ^a   Stubbs, Joanne E ^b   Eng, Peter J ^b   Bargar, John R ^c  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

^c SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

Ab initio thermodynamics; Corrosion; Density functional theory; Oxidation; Surface; Uranium dioxide

Indexed keywords

EID: 84859158462     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.11.028     Document Type: Article

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