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Title: Graphocrown : a novel, two-dimensional oxocarbon : a theoretical study
Author(s): Kalinin, Mikhail A.
Kriebel, MaximilianLook up in the Integrated Authority File of the German National Library
Oshchepkov, Alexander S.
Sharapa, Dmitry I.
Issue Date: 2023
Type: Article
Language: English
Abstract: An innovative 2D-material, graphocrown, was designed and studied. Our graphocrown computations revealed a higher stability compared to previous materials studied with the same generalized C2O formula. The energetic benefit of the graphocrown formation from benzenehexol was also evaluated. The structure and properties of graphocrowns with various layer arrangements were analysed and compared. In addition, the formation of potassium complexes with the new material was studied. It was found that graphocrown binds potassium better than 18-crown-6, and the intercalation of graphocrown with potassium is more favourable, compared to graphite. Finally, the band structure, as well as the mobility of the charge carriers in the graphocrown, were investigated.
Open Access: Open access publication
License: (CC BY 4.0) Creative Commons Attribution 4.0(CC BY 4.0) Creative Commons Attribution 4.0
Journal Title: Crystals
Publisher: MDPI
Publisher Place: Basel
Volume: 13
Issue: 6
Original Publication: 10.3390/cryst13060909
Page Start: 1
Page End: 15
Appears in Collections:Open Access Publikationen der MLU

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