Effects of chemical defects on anisotropic dielectric response of polyethylene
Abstract
Dielectric polymers such as polyethylene (PE) have a wide range of energy and electronic applications. While recent studies have shown significant effects of chemical defects on the electronic structure of PE, those on the dielectric properties remain elusive. Here, first-principles quantum-mechanical calculations show anisotropic dielectric constants of PE, which are sensitive to the type of defects. Specifically, addition of iodine defects increases the high-frequency dielectric constant. Addition of hydroxyl or carboxyl group, on the other hand, causes noticeable anisotropic 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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Apr 01, 2019
- Source ID
- 10.1063/1.5093566
Entities
People
- Aiichiro Nakano
- Fuyuki Shimojo
- Hiroyuki Kumazoe
- Priya Vashishta
- Rajiv K. Kalia
- Shogo Fukushima
- Subodh C Tiwari
Organizations
- Kumamoto University
- Office of Naval Research Global
- University of Southern California