Fig. 2: Further computational simulations on intermolecular interactions and electrical states of different structures. | Nature Communications

Fig. 2: Further computational simulations on intermolecular interactions and electrical states of different structures.

From: Synthesis of crystalline polyamide for synergistically strengthening anticorrelated mechanical property and high-temperature capacitive energy storage

Fig. 2

a Visualization of interchain interactions of PI, PABI, and PTFMB structures though IGMH method. b Hole&ele distributions of three polymer structures. c Chole&Cele distributions of three polymer structures. d Excitation energy of the first excited state (S1) for three polymer structures. e Charge transfer matrix. f Total transfer amounts of electrons for the first five excited states for three polymer structures.

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