Density functional theory analysis of the effect of iodine in polyethylene

IEEE Transactions on Dielectrics and Electrical Insulation

Volumn 18, Issue 2, 2011, Pages 471-477

  Huzayyin, A ^a   Boggs, S A ^a,b   Ramprasad, R ^b  

^a UNIVERSITY OF TORONTO   (Canada)

^b UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

chemical impurities; computational quantum mechanics; density functional theory; high field phenomena; iodine; polyethylene; Polymers

Indexed keywords

ATOMIC ORBITAL; BAND GAPS; CHEMICAL IMPURITIES; COMPUTATIONAL QUANTUM MECHANICS; DENSITY FUNCTIONALS; ELECTRON CHARGE DENSITY; HIGH FIELD PHENOMENA; IMPURITY STATE; SPATIAL FEATURES; STABLE CONFIGURATION;

ACTIVATION ENERGY; BINDING ENERGY; FUNCTIONAL POLYMERS; HOLE MOBILITY; IMPURITIES; INDUSTRIAL CHEMICALS; IODINE; MECHANICS; POLYETHYLENES; POLYMERS; QUANTUM CHEMISTRY; QUANTUM THEORY; SEMICONDUCTOR QUANTUM WELLS; THERMOPLASTICS;

DENSITY FUNCTIONAL THEORY;

EID: 79953651521     PISSN: 10709878     EISSN: None     Source Type: Journal    
DOI: 10.1109/TDEI.2011.5739451     Document Type: Article

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