Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5395150 | Computational and Theoretical Chemistry | 2011 | 4 Pages |
Abstract
⺠The designed analogues where sulfur was substituted by NH (NHBDT) and by oxygen (OBDT) are blue shifted. ⺠The BH substituted one (BHBDT) is red shifted. ⺠The IP of NHBDT and OBDT are smaller than BDT revealed that injection barrier for hole would be small. ⺠The EA, IP and balanced hole and electron reorganization energies of BHBDT showed that it would be good ambipolar material.
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Physical and Theoretical Chemistry
Authors
Ahmad Irfan, Muhammad Nadeem, Makshoof Athar, Farah Kanwal, Jingping Zhang,