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Doped Graphene Quantum Dots UV–vis Absorption Spectrum: A High-Throughput TDDFT Study

[Image: see text] We report on time-dependent density functional theory calculations of the excited states of 63 different graphene quantum dots (GQDs) in square shape with side lengths of 1, 1.5, and 2 nm. We investigate the systematics and trends in the UV–vis absorption spectra of these GQDs, whi...

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Detalles Bibliográficos
Autores principales:	Özönder, Şener, Ünlü, Caner, Güleryüz, Cihat, Trabzon, Levent
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9850463/ https://www.ncbi.nlm.nih.gov/pubmed/36687068 http://dx.doi.org/10.1021/acsomega.2c06091

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