DocumentCode
2595751
Title
Effect of Carbonyl Impurities on Polyethylene Band Structure Using Density Functional Theory
Author
Huzayyin, A. ; Boggs, S. ; Ramprasad, R.
Author_Institution
ECE Dept., Univ. of Toronto, Toronto, ON, Canada
fYear
2008
fDate
26-29 Oct. 2008
Firstpage
353
Lastpage
356
Abstract
The effect of carbonyl groups on crystalline polyethylene has been studied through computation of the energy band diagram and density of states using density functional theory (DFT). Carbonyl impurity states reduce the effective band gap by about 2.35 eV.
Keywords
electronic density of states; energy gap; impurity states; polymers; DFT; band gap; carbonyl groups; carbonyl impurity states; crystalline polyethylene band structure; density functional theory; density of states; energy band diagram; Chemicals; Crystallization; Density functional theory; Dielectrics; Electrons; Impurities; Photonic band gap; Polyethylene; Polymers; Quantum computing; Density Functional Theory; Polythylene Carbonyl Impurities;
fLanguage
English
Publisher
ieee
Conference_Titel
Electrical Insulation and Dielectric Phenomena, 2008. CEIDP 2008. Annual Report Conference on
Conference_Location
Quebec, QC
Print_ISBN
978-1-4244-2548-8
Electronic_ISBN
978-1-4244-2549-5
Type
conf
DOI
10.1109/CEIDP.2008.4772879
Filename
4772879
Link To Document