Fig. 6: Theoretical calculations for the interaction between SiW12 and PTA.
From: An in-situ assembled cobweb-like adhesive with high processability
a Independent gradient model based on Hirshfeld partition (IGMH) isosurfaces for the interaction energy between SiW12 and PTA. b The interaction energy between PTA and SiW12 at 25 and −196 °C for the final 5 ns in the MD simulation. c The interaction energy between CSSP adhesive and SS substrate at 25 and −196 °C for the final 2 ns in the MD simulation. d The configurations of molecular models of SiW12 and PTA at −196 °C. e The configurations of molecular models of CSSP adhesive and SS substrate at −196 °C.
