A DFT study to unravel the fluorescence mechanisms of APTES-modified carbon dots

Surface passivation is a well-established method for modifying carbon dots (CDs), intended to improve their properties. We present a theoretical study employing density functional theory (DFT) and time-dependent-DFT (TD-DFT) to explain the photoluminescence (PL) mechanism of amine-modified carbon do...

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Principais autores:	Varsha Lisa John, Fasila P.M., Vinod T.P.
格式:	Artigo
语言:	Inglês
出版:	Elsevier 2024-01-01
丛编:	Next Nanotechnology
主题:	Carbon dots TD-DFT Hydrogen bonding Silane coupling reaction APTES modification Photoluminescence mechanism
在线阅读:	http://www.sciencedirect.com/science/article/pii/S2949829523000372
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