The interplay between attractive London dispersion forces and steric effects due to repulsive forces often determines the geometry and stability of nanostructures, but for nanocomposites consisting of hetero-molecular nanostructures with delocalized π electrons this interplay is highly complex. Here, the authors study the interaction energies between aromatic polyimides and carbon nanotubes, with a focus on the influence of substituent groups on London dispersion forces and steric effects.
- Baode Zhang
- Snežana D. Zarić
- Günter Reiter
