الفهرس 
Title : Investigation Of Defected Structures Of Copper And Polyethylene Interfaces
SummaryOnly 14 pages are availabe for public view
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Abstract
Chemical and physical defects at the metal/polymer heterostructures play a vital role
in the charge injection process at the metal/polymer interface. The present work studies
the effect of polyethylene chain deformation and copper surface oxidation on the barriers
to charge injection at the Cu(111)/PE(001) interface. The chain deformation in polyethylene
is represented by lamella structure, in addition, copper surface oxidation appears using
oxygen adatom impurities. The electronic properties of these structures are studied using
density functional theory as a computational quantum mechanical method. The computations
concluded that lamella and oxygen adatom defects produce the deepest trap states
for holes (0.6 eV) and electrons (0.77 eV), respectively. Additionally, this work winds up that the studied defects cannot explain alone the barrier to injection of 1 eV at the copper/polyethylene interfaces.