Effects of chemical defects on anisotropic dielectric response of polyethylene
Journal Article - Open Access
University of Southern California Los Angeles United States
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Dielectric polymers such as polyethylene PE have a wide range of energy and electronic applications. While recent studies have shownsignificant effects of chemical defects on the electronic structure of PE, those on the dielectric properties remain elusive. Here, first-principlesquantum-mechanical calculations show anisotropic dielectric constants of PE, which are sensitive to the type of defects. Specifically, additionof iodine defects increases the high-frequency dielectric constant. Addition of hydroxyl or carboxyl group, on the other hand, causes noticeableanisotropic changes in the static dielectric constant, which is well elucidated through the rotation and concerted motions of chemical groups.The sensitivity of these defects may be exploited to rationally alter the behavior of PE.
- Electricity and Magnetism
- Physical Chemistry