Figure 1: A schematic illustration of our rational polymer dielectric design strategy. | Nature Communications

Figure 1: A schematic illustration of our rational polymer dielectric design strategy.

From: Rational design of all organic polymer dielectrics

Figure 1

The strategy involves five consecutive steps: (1) Combinatorial chemical space exploration, using 1D polymer chains containing four independent blocks with periodic boundary conditions along the chain axis, (2) Promising repeat unit identification, by screening based on band gap and dielectric constant, (3) 3D structure/morphology predictions of polymers composed of the downselected repeat units, (4) Property predictions of the 3D systems. Finally, (5) Synthesis testing and validation.

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