1.
Chem Commun (Camb)
; 52(48): 7608-11, 2016 Jun 18.
Article
in English
| MEDLINE
| ID: mdl-27226252
ABSTRACT
We have estimated theoretically the impact of curvature on the free energies of activation and reaction associated with Diels-Alder reactions on carbon-based materials. Significant reduction is observed for both energy values with increasing curvature for core-functionalization, while the opposite trend prevails for edge-functionalization, as further supported by SEM/fluorescence measurements.