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Study of the effect of the nanobridge length on the electroic properties of Donor - Nanobridge – Acceptor molecular system | ||
| Journal of Kufa - physics | ||
| Article 1, Volume 7, Issue 2, 2015, Pages 60-66 | ||
| Authors | ||
| Hamid I . Abbood; Khalid Jabbar Mutashar | ||
| Abstract | ||
| Present research focuses on the effect of the nanobridge length on the electronic properties in the donor – nanobridge – acceptor molecular system by employing the theoretical hybrid functional B3LYP/6-31G density functional theory. The results showed that the increase of the nanobridge length changes the HOMO and LUMO energies , and therefore ,leads to reduce the forbidden energy gap of the original molecular system. New molecular systems have new electronic properties are constructed from four to eight phenyl rings as a nanobridge between the donor and the acceptor, these systems have high ability to accept electrons from the media and their electron affinity is slightly increasing with increase the length of the nanobridge in the molecular system. | ||
| Keywords | ||
| HOMO; Lumo; Energy gap; Electron affinity and Electrophilic | ||
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