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On the electronic structure of alternant conjugated organic radicals for light-emitting diode applications

Hele, T; (2021) On the electronic structure of alternant conjugated organic radicals for light-emitting diode applications. In: Proceedings Volume 11799, Physical Chemistry of Semiconductor Materials and Interfaces XX; 117991A (2021). SPIE: San Diego, California, United States. Green open access

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Abstract

Since the demonstration in 2018 that organic radicals can be used to make highly efficient organic light-emitting diodes there has been an explosion of interest in their capabilities and many experimental and computational studies of their performance. Here we take a theoretical view and describe the electronic structure of radicals from an algebraic perspective. By rediscovering and adapting historic investigations of organic radicals we show how many experimentally useful properties can be determined without synthesis or computation, but simply from knowledge of the molecular structure and in particular whether or not the radical is an alternant hydrocarbon. We explain these results in the context of modern organic light-emitting design in order to inform future investigations.

Type: Proceedings paper
Title: On the electronic structure of alternant conjugated organic radicals for light-emitting diode applications
Event: SPIE Nanoscience + Engineering, 2021
Dates: 01 August 2021 - 05 August 2021
Open access status: An open access version is available from UCL Discovery
DOI: 10.1117/12.2593712
Publisher version: https://doi.org/10.1117/12.2593712
Language: English
Additional information: This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Chemical species, Organic light emitting diodes, Molecules, Carbon, Absorption, Optoelectronics, Standards development
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery-pp.ucl.ac.uk/id/eprint/10136204
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