title: Optimization of Organotin Polymers for Dielectric Applications.
abstract: Recently, there has been a growing interest in developing wide band gap dielectric materials as the next generation insulators for capacitors, photovoltaic devices, and transistors. Organotin polyesters have shown promise as high dielectric constant, low loss, and high band gap materials. Guided by first-principles calculations from density functional theory (DFT), in line with the emerging codesign concept, the polymer poly(dimethyltin 3,3-dimethylglutarate), p(DMTDMG), was identified as a promising candidate for dielectric applications. Blends and copolymers of poly(dimethyltin suberate), p(DMTSub), and p(DMTDMG) were compared using increasing amounts of p(DMTSub) from 10% to 50% to find a balance between electronic properties and film morphology. DFT calculations were used to gain further insight into the structural and electronic differences between p(DMTSub) and p(DMTDMG). Both blend and copolymer systems showed improved results over the homopolymers with the films having dielectric constants of 6.8 and 6.7 at 10 kHz with losses of 1% and 2% for the blend and copolymer systems, respectively. The energy density of the film measured as a D-E hysteresis loop was 6 J/cc for the copolymer, showing an improvement compared to 4 J/cc for the blend. This improvement is hypothesized to come from a more uniform distribution of diacid repeat units in the copolymer compared to the blend, leading toward improved film quality and subsequently higher energy density.
authors.affiliation: Polymer Program, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Gregory M
authors.initials: GM
authors.lastname: Treich
authors.affiliation: Polymer Program, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.|Department of Chemistry, University of Connecticut , 55 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Shamima
authors.initials: S
authors.lastname: Nasreen
authors.affiliation: Department of Materials Science and Engineering, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Arun
authors.initials: A
authors.lastname: Mannodi Kanakkithodi
authors.affiliation: Polymer Program, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Rui
authors.initials: R
authors.lastname: Ma
authors.affiliation: Department of Electrical and Computer Engineering, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Mattewos
authors.initials: M
authors.lastname: Tefferi
authors.affiliation: Polymer Program, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: James
authors.initials: J
authors.lastname: Flynn
authors.affiliation: Department of Electrical and Computer Engineering, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Yang
authors.initials: Y
authors.lastname: Cao
authors.affiliation: Department of Materials Science and Engineering, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Rampi
authors.initials: R
authors.lastname: Ramprasad
authors.affiliation: Polymer Program, University of Connecticut , 97 North Eagleville Road, Storrs, Connecticut 06269, United States.
authors.forename: Gregory A
authors.initials: GA
authors.lastname: Sotzing
keywords: DFT calculation; breakdown; dielectric properties; polyester; structure; thermal properties; tin; tin ester