Fig. 6: Molecular dynamics simulations. | Nature Communications

Fig. 6: Molecular dynamics simulations.

From: Main-chain engineering of polymer photocatalysts with hydrophilic non-conjugated segments for visible-light-driven hydrogen evolution

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.

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