| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5360682 | Applied Surface Science | 2013 | 6 Pages |
Abstract
⺠Reaction of some organo-azo molecules with BN sheet is investigated using DFT. ⺠Reaction energies (Er) have been calculated to be in the range of 0.19 to 0.35. ⺠Er enhances, increasing the electron withdrawing characteristic of the functionals. ⺠The reaction may impede the field electron emission from the sheet surface.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Javad Beheshtian, Hamed Soleymanabadi, Ali Ahmadi Peyghan, Zargham Bagheri,