Combined experimental and computational 1H NMR study of water adsorption onto graphenic materials

Combined experimental and computational 1H NMR study of water adsorption onto graphenic materials

The effects caused by the interaction with graphene-like layers on the 1H NMR spectra of water molecules adsorbed onto porous carbon materials were investigated by a combination of shielding calculations using density functional theory (DFT) and 1H NMR experiments. Experimental 1H NMR spectra were r...

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Bibliographic Details
Main Authors: Alan R. Ambrozio, Thierry R. Lopes, Daniel F. Cipriano, Fábio A.L. de Souza, Wanderlã L. Scopel, Jair C.C. Freitas
Format: Article
Language:English
Published: Elsevier 2023-06-01
Series:Journal of Magnetic Resonance Open
Subjects:
Water adsorption
Graphenic materials
1H NMR
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S2666441022000619

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http://www.sciencedirect.com/science/article/pii/S2666441022000619

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