Interaction energies and stabilities of heteroatom-containing aromatic compounds on graphite
Abstract
-pentane. These results indicate that the presence of heteroatoms does not significantly affect the interaction energies or stacking stabilities, implying that the introduced HACs can be treated almost identically to PAHs in terms of their interaction energies and stability of stacking with graphite.
Fields of Study & Subjects
Surface Chemistry and Catalysis
Adsorption
diffusion
and thermodynamic properties of materials
Advanced Chemical Physics Studies
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Volume
- 28
- Issue
- 11
- Pages
- 7093–7100
- Publication date
- 1 January 2026
- Language
- EN