We use molecular dynamics and density functional theory to study the addition of a small number of polar groups to an apolar hydrocarbon polymer. Earlier work with hydroxyl groups showed an increase in dielectric constant by a factor of 2, without substantially increasing the dielectric loss. We now expand on this work with a systematic study of a wide range of polar side groups and adsorbed solvents. The results suggest that improved polymeric based dielectric materials can be designed by incorporating polar groups on the chain, but only those whose relaxations can be substantially slowed due to cooperative effects, e.g., through long-lived hydrogen bonds. 

Improved polymeric dielectrics using additional polar groups

246th National Meeting (2013)

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