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. 2022 Sep 17;13:5460. doi: 10.1038/s41467-022-33211-1

Fig. 6. Molecular dynamics simulations.

Fig. 6

a The workflow of molecular dynamics study. The conjugate polymer models were built according to the overall mass and different repetition units. The system was filled with water in an amorphous cell to evaluate the hydro-bonding. b The statistics of hydrogen bounds and c the possibility of hydrogen bond formation of polymer photocatalysts.