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. 2024 Mar 30;15:2784. doi: 10.1038/s41467-024-47052-7

Fig. 5. All-atom molecular dynamics (AAMD) simulations of the Donor:Y6 blend systems.

Fig. 5

a–c Illustration of stacking patterns in P3HT:Y6, PTB7-Th:Y6, and J71:Y6, respectively. Three typical dimers with terminal-terminal interactions (TT), core/terminal interactions (CT-CT) and core/core and terminal/terminal interactions (CC-TT) are extracted from the blue areas. d–i Radial distribution function (g(r)) data describing the packing between the Y6 molecular fragments (i.e., A-A, A-D, A-A’, D-D, D-A’, and A’-A’, respectively) for P3HT:Y6, PTB7-Th:Y6, and J71:Y6.