A theoretical design of some silole-based dibenzothiophene-S,S-dioxide semiconducting compounds for red phosphorescence

A theoretical design of some silole-based dibenzothiophene-S,S-dioxide semiconducting compounds... A series of molecular organic semiconductors constituting of two side groups R, R = silole or silole-benzene, attached symmetrically to a central dibenzothiophene-S,S-dioxide unit were theoretically designed as host materials in red phosphorescence. Their electronic and transport properties were determined using density functional theory methods. Structural modifications of the R groups and central units were performed with the aim of increasing both triplet energy and charge mobility. Calculated results suggested a few compounds to have sufficiently high triplet energies (>2.5 eV) to be used as host materials in PhOLED devices in combination with low-triplet-energy guest materials. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Organic Electronics Elsevier

A theoretical design of some silole-based dibenzothiophene-S,S-dioxide semiconducting compounds for red phosphorescence

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
1566-1199
D.O.I.
10.1016/j.orgel.2017.12.051
Publisher site
See Article on Publisher Site

Abstract

A series of molecular organic semiconductors constituting of two side groups R, R = silole or silole-benzene, attached symmetrically to a central dibenzothiophene-S,S-dioxide unit were theoretically designed as host materials in red phosphorescence. Their electronic and transport properties were determined using density functional theory methods. Structural modifications of the R groups and central units were performed with the aim of increasing both triplet energy and charge mobility. Calculated results suggested a few compounds to have sufficiently high triplet energies (>2.5 eV) to be used as host materials in PhOLED devices in combination with low-triplet-energy guest materials.

Journal

Organic ElectronicsElsevier

Published: Mar 1, 2018

References

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