The effect of diphenylamine on the electronic, optical, and charge transport properties of BTD-based derivative: Insights from theory |
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| Authors: | Bo Hu Chan Yao Qing Wei Wang Xu Ri Huang |
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| Affiliation: | a Faculty of Chemistry, Jilin Normal University, Siping 136000, China;b Key Laboratory of Preparation and Applications of Environmental Friendly Materials, Jilin Normal University, Ministry of Education, Siping 136000, China;c State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China |
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| Abstract: | Theoretical investigations have been performed to explore the variation in electronic, optical, and charge transport properties upon the change of the chemical composition along the backbone in 2,1,3-benzothiadiazole (BTD)-based derivative. Narrow difference between hole and electron transportations with the charge hopping model indicates studied BTD-based derivative can be used as good ambipolar transport material in organic light-emitting diodes. |
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| Keywords: | Diphenylamine 2,1,3-Benzothiadiazole Electronic and optical properties Reorganization energy |
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