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The Optical Signature of Charges in Conjugated Polymers
[Image: see text] Electrical charge flowing through organic semiconductors drives many of today’s mobile phone displays and television screens, suggesting an internally consistent model of charge-carrier properties in these materials to have manifested. In conjugated polymers, charges give rise to a...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2016
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4882742/ https://www.ncbi.nlm.nih.gov/pubmed/27280165 http://dx.doi.org/10.1021/acscentsci.6b00073 |
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author | Heimel, Georg |
author_facet | Heimel, Georg |
author_sort | Heimel, Georg |
collection | PubMed |
description | [Image: see text] Electrical charge flowing through organic semiconductors drives many of today’s mobile phone displays and television screens, suggesting an internally consistent model of charge-carrier properties in these materials to have manifested. In conjugated polymers, charges give rise to additional absorption of light at wavelengths longer than those absorbed by the electrically neutral species. These characteristic absorption bands are universally being related to the emergence of localized energy levels shifted into the forbidden gap of organic semiconductors due to local relaxation of the molecular geometry. However, the traditional view on these energy levels and their occupation is incompatible with expected changes in electron removal and addition energies upon charging molecules. Here, I demonstrate that local Coulomb repulsion, as captured by nonempirically optimized electronic-structure calculations, restores compatibility and suggests a different origin of the charge-induced optical transitions. These results challenge a widely accepted and long-established picture, but an improved understanding of charge carriers in molecular materials promises a more targeted development of organic and hybrid organic/inorganic (opto-)electronic devices. |
format | Online Article Text |
id | pubmed-4882742 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-48827422016-06-08 The Optical Signature of Charges in Conjugated Polymers Heimel, Georg ACS Cent Sci [Image: see text] Electrical charge flowing through organic semiconductors drives many of today’s mobile phone displays and television screens, suggesting an internally consistent model of charge-carrier properties in these materials to have manifested. In conjugated polymers, charges give rise to additional absorption of light at wavelengths longer than those absorbed by the electrically neutral species. These characteristic absorption bands are universally being related to the emergence of localized energy levels shifted into the forbidden gap of organic semiconductors due to local relaxation of the molecular geometry. However, the traditional view on these energy levels and their occupation is incompatible with expected changes in electron removal and addition energies upon charging molecules. Here, I demonstrate that local Coulomb repulsion, as captured by nonempirically optimized electronic-structure calculations, restores compatibility and suggests a different origin of the charge-induced optical transitions. These results challenge a widely accepted and long-established picture, but an improved understanding of charge carriers in molecular materials promises a more targeted development of organic and hybrid organic/inorganic (opto-)electronic devices. American Chemical Society 2016-04-29 2016-05-25 /pmc/articles/PMC4882742/ /pubmed/27280165 http://dx.doi.org/10.1021/acscentsci.6b00073 Text en Copyright © 2016 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes. |
spellingShingle | Heimel, Georg The Optical Signature of Charges in Conjugated Polymers |
title | The Optical Signature of Charges in Conjugated Polymers |
title_full | The Optical Signature of Charges in Conjugated Polymers |
title_fullStr | The Optical Signature of Charges in Conjugated Polymers |
title_full_unstemmed | The Optical Signature of Charges in Conjugated Polymers |
title_short | The Optical Signature of Charges in Conjugated Polymers |
title_sort | optical signature of charges in conjugated polymers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4882742/ https://www.ncbi.nlm.nih.gov/pubmed/27280165 http://dx.doi.org/10.1021/acscentsci.6b00073 |
work_keys_str_mv | AT heimelgeorg theopticalsignatureofchargesinconjugatedpolymers AT heimelgeorg opticalsignatureofchargesinconjugatedpolymers |