Effect of the Alkyl Chain Length Incorporated into Donor Part on the Optoelectronic Properties of the Carbazole Based Dyes: Theoretical Study
In this paper, we report a theoretical study using density functional theory (DFT) and time-dependent (TD-DFT) for R-D-π-A systems with various alkyl chains (R). Results show that the LUMO of the dye lies above the semiconductor conduction band, promoting the injection of electrons; the lower HOMO...
Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
Universidade Federal de Mato Grosso do Sul
2017-12-01
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Series: | Orbital: The Electronic Journal of Chemistry |
Subjects: | |
Online Access: | https://periodicos.ufms.br/index.php/orbital/article/view/16410 |