A full-potential linearized augmented plane wave (FP-LAPW) study of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of δ-Pu

Physica B: Condensed Matter

Volumn 392, Issue 1-2, 2007, Pages 112-126

  Atta Fynn, Raymond ^a   Ray, Asok K ^a  

^a UNIVERSITY OF TEXAS AT ARLINGTON   (United States)

Author keywords

Adsorption; Carbon; Density functional theory; Generalized gradient approximation; Nitrogen; Oxygen; Plutonium

Indexed keywords

CARRIER CONCENTRATION; CHEMISORPTION; ELECTRONIC STRUCTURE; FUNCTIONS; LINEARIZATION; PROBABILITY DENSITY FUNCTION; SURFACE PROPERTIES;

ATOMIC CARBON; ATOMIC SPHERES; DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION;

WAVE EQUATIONS;

EID: 33847320586     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2006.11.017     Document Type: Article

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