Effect of Amino-Functionalized Graphene Quantum Dots on Unoccupied Electronic States of Donor-Acceptor Thiophene-Based Copolymer: A Core Level Spectroscopy Investigation

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dc.contributor.authorGarcia-Basabe Y.
dc.contributor.authorPedrozo-Penafiel M.J.
dc.contributor.authorFigueredo I.S.
dc.contributor.authorAucelio R.Q.
dc.contributor.authorLarrude D.G.
dc.date.accessioned2025-06-01T06:12:17Z
dc.date.available2025-06-01T06:12:17Z
dc.date.issued2025
dc.description.abstract© 2025 The Authors. Published by American Chemical Society.In this work, the effects of electronic interactions between amino-functionalized graphene quantum dots (AF-GQDs) and the unoccupied electronic states of the donor-acceptor thiophene-based copolymer poly[2,7-(9,9-dioctylfluorene)-alt-4,7-bis(thiophen-2-yl)benzo-2,1,3-thiadiazole] (PFO-DBT) were investigated using X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure spectroscopy (NEXAFS), and resonant Auger spectroscopy (RAS). XPS analysis revealed noncovalent interactions between PFO-DBT and AF-GQDs, which induced changes in the molecular configuration of the copolymer. S K-edge NEXAFS spectra indicated that thiophene units preferentially adopt an edge-on orientation, while benzothiadiazole units lie on-plane, a configuration modulated by interactions with AF-GQDs that reduce the planarity of the polymer backbone. The degree of electronic delocalization was probed via sulfur KL23L23 RAS, revealing strong localization of electrons excited to the π*(S-N) states of benzothiadiazole, and enhanced delocalization for electrons excited to the π*(S-C) states of thiophene. These effects are directly correlated with conformational changes, particularly increased torsional disorder. This study offers fundamental insights into how functionalized carbon nanostructures influence the electronic structure and molecular conformation of donor-acceptor copolymers, providing valuable guidelines for the designing next-generation optoelectronic materials with tailored charge transport and excitonic properties.
dc.description.firstpage8783
dc.description.issuenumber18
dc.description.lastpage8792
dc.description.volume129
dc.identifier.doi10.1021/acs.jpcc.5c01259
dc.identifier.issnNone
dc.identifier.urihttps://dspace.mackenzie.br/handle/10899/40886
dc.relation.ispartofJournal of Physical Chemistry C
dc.rightsAcesso Restrito
dc.titleEffect of Amino-Functionalized Graphene Quantum Dots on Unoccupied Electronic States of Donor-Acceptor Thiophene-Based Copolymer: A Core Level Spectroscopy Investigation
dc.typeArtigo
local.scopus.citations0
local.scopus.eid2-s2.0-105003745113
local.scopus.subjectBenzothiadiazoles
local.scopus.subjectCore level spectroscopy
local.scopus.subjectDonor/acceptor
local.scopus.subjectElectronic interactions
local.scopus.subjectFunctionalized graphene
local.scopus.subjectNear edge x-ray absorption fine structure spectroscopies
local.scopus.subjectResonant Auger spectroscopy
local.scopus.subjectThiadiazoles
local.scopus.subjectUnoccupied electronic state
local.scopus.subjectX-ray photoelectrons
local.scopus.updated2025-06-01
local.scopus.urlhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=105003745113&origin=inward
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