Journal
IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION
Volume 17, Issue 3, Pages 926-930Publisher
IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
DOI: 10.1109/TDEI.2010.5492268
Keywords
Polymers; polyethylene; high field phenomena; chemical impurities; computational quantum mechanics; DFT
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The effect of various chemical impurities in polyethylene on the electronic structure, trap depths, electron density, interchain interaction, etc. has been studied through the use of density functional theory. Quantum mechanical description of chemical impurity states is provided. The estimated depth of deep traps introduced directly by impurities and shallow traps introduced indirectly by impurity induced local disorder are in agreement with experimental estimates in the literature.
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