アモルファスフッ素ポリマー・エレクトレットのための誘電分極モデルを用いた固体解析

抄録

The charge trapping depth of negatively-charged CYTOP polymer electret is evaluated by density function theory, with polarizable continuum model incorporated. The computed solid-state electron affinity is in accordance with the experiment data and the MD/DFT results, while requiring 31 times smaller computational cost.