| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10566890 | Organic Electronics | 2012 | 8 Pages |
Abstract
⺠Density functional theory was used to examine electrical properties of conjugated molecules. ⺠Gradual increase of nitrogen atoms in a conjugated organic molecule was investigated. ⺠Condensed Fukui function was used to estimate affinity of anchor atoms to electrodes. ⺠The HOMO-LUMO gap decreases steadily with increasing the number of nitrogen atoms. ⺠Energy gap can be used as a means for modifying electrical properties in a regular mode.
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Physical Sciences and Engineering
Chemistry
Chemistry (General)
Authors
Morad M. El-Hendawy, Ahmed M. El-Nahas, Mohamed K. Awad,