Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/113430
DC Field | Value | Language |
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dc.contributor.author | Mérgola-Greef, Joëlle | - |
dc.contributor.author | Milne, Bruce F. | - |
dc.date.accessioned | 2024-02-20T09:27:13Z | - |
dc.date.available | 2024-02-20T09:27:13Z | - |
dc.date.issued | 2023-05-10 | - |
dc.identifier.uri | https://hdl.handle.net/10316/113430 | - |
dc.description.abstract | Real-space self-interaction corrected (time-dependent) density functional theory has been used to investigate the ground-state electronic structure and optical absorption profiles of a series of linear oligomers inspired by the natural product telomestatin. Length-dependent development of plasmonic excitations in the UV region is seen in the neutral species which is augmented by polaron-type absorption with tunable wavelengths in the IR when the chains are doped with an additional electron/hole. Combined with a lack of absorption in the visible region this suggests these oligomers as good candidates for applications such as transparent antennae in dye-sensitised solar energy collection materials. Due to strong longitudinal polarisation in their absorption spectra, these compounds are also indicated for use in nano-structured devices displaying orientation-sensitive optical responses. | pt |
dc.language.iso | eng | pt |
dc.publisher | Royal Society of Chemistry | pt |
dc.relation | The authors acknowledge financial support from the Industrial Biotechnology Innovation Centre (IBioIC, doctoral training grant BB/W059899/1). This work was also supported by national funds from the Portuguese FCT – Fundação para a Ciência e a Tecnologia, I. P., within the projects UIDB/04564/2020 and UIDP/04564/2020 | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.title | First-principles study of electronic and optical properties in 1-dimensional oligomeric derivatives of telomestatin | pt |
dc.type | article | pt |
degois.publication.firstPage | 12744 | pt |
degois.publication.lastPage | 12753 | pt |
degois.publication.issue | 18 | pt |
degois.publication.title | Physical Chemistry Chemical Physics | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1039/d3cp01140b | - |
degois.publication.volume | 25 | pt |
dc.date.embargo | 2023-05-10 | * |
dc.identifier.pmid | 37114806 | - |
uc.date.periodoEmbargo | 0 | pt |
dc.identifier.eissn | 1463-9084 | - |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | Com Texto completo | - |
crisitem.author.orcid | 0000-0002-5522-4808 | - |
Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais I&D CFis - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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Firstprinciples-study-of-electronic-and-optical-properties-in-1dimensional-oligomeric-derivatives-of-telomestatinPhysical-Chemistry-Chemical-Physics.pdf | 1.52 MB | Adobe PDF | View/Open |
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