Experimental and molecular dynamics study of graphene oxide quantum dots interaction with solvents and its aggregation mechanism

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MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidad Nacional de Ingeniería-
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.creatorJauja-Ccana, V. R.-
Autor(es): dc.creatorCordova-Huaman, Allison V.-
Autor(es): dc.creatorFeliciano, Gustavo T. [UNESP]-
Autor(es): dc.creatorLa Rosa-Toro Gómez, Adolfo-
Data de aceite: dc.date.accessioned2022-02-22T00:51:51Z-
Data de disponibilização: dc.date.available2022-02-22T00:51:51Z-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-08-01-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.molliq.2021.116136-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/207938-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/207938-
Descrição: dc.descriptionThis work describes the aggregation process and explains the optical behavior of graphene oxide quantum dots (GOQDs) in different solvents using molecular dynamics, DFT, and experimental observations. The optical behavior of electrochemically synthesized GOQDs in different solvents was analyzed by UV–Vis spectroscopy, and dependence between the spectra and the solvents (water, ethanol, acetone, chloroform, toluene, and n-hexane) was found. Molecular dynamics methods were used to determine that the local structure of the solvent molecules and the nature of intermolecular forces between GOQDs dominate their aggregation state and their optical properties in each solvent. These computational studies based on liquid-liquid systems provide a fast and straightforward approach to develop synthesis and purification methods that allow tailored advanced optical properties of GOQDs.-
Descrição: dc.descriptionLaboratorio de Investigación de Electroquímica Aplicada Facultad de Ciencias Universidad Nacional de Ingeniería, Av. Tupac Amaru 210, Rimac-
Descrição: dc.descriptionInstitute of Chemistry Department of Engineering Physics and Mathematics São Paulo State University (UNESP)-
Descrição: dc.descriptionInstitute of Chemistry Department of Engineering Physics and Mathematics São Paulo State University (UNESP)-
Idioma: dc.languageen-
Relação: dc.relationJournal of Molecular Liquids-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectAggregation-
Palavras-chave: dc.subjectFace-to-face-
Palavras-chave: dc.subjectGraphene oxide quantum dots-
Palavras-chave: dc.subjectRDF-
Palavras-chave: dc.subjectπ-π stacking-
Título: dc.titleExperimental and molecular dynamics study of graphene oxide quantum dots interaction with solvents and its aggregation mechanism-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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