Investigation of Amorphous Fluorinated Polymer for Bipolar Electret Based on Solid-state Quantum Chemical Analysis
Published in IEEJ, Series: Dielectric and Insulating Materials Research Group, Quantum Chemical Calculations, Composite Materials, Dielectric and Insulating Properties, 2020
DOI
https://cir.nii.ac.jp/crid/1520572359963737344
Abstract
Both positive and negative charging performances of amorphous polymer electret with different end groups are evaluated by density functional theory and the polarizable continuum model. The computed electron affinity and ionization potential values can be the measure of the charge trapping depth, and are in qualitative agreement with the experiment data after charging. The batch computation method is also provided for screening candidates with specific end groups toward higher bipolar charging performance.