| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5356785 | Applied Surface Science | 2012 | 5 Pages |
Abstract
⺠Reaction of C60 with 2,3-dimethylbutadiene (DMB) is theoretically investigated. ⺠The HOMO of DMB interacts with the LUMO of C60 via a Diels Alder reaction. ⺠Work function of C60 is decreased by increasing the number of DMB molecules. ⺠The reaction may facilitate the field electron emission from C60 surface.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Functionalization of [60] fullerene with butadienes: A DFT study](/preview/png/5356785.png "First Page Preview: Functionalization of [60] fullerene with butadienes: A DFT study")
Authors
Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri,