Mechanistic Insights on Functionalization of Graphene with Ozone

The exposure of graphene to O3 results in functionalization of its lattice with epoxy, even at room temperature. This reaction is of fundamental interest for precise lattice patterning, however, is not well understood. Herein, using van der Waals density functional theory (vdW-DFT) incorporating spi...

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Veröffentlicht in:	Journal of physical chemistry. C 2023-11, Vol.127 (45), p.22015-22022
Hauptverfasser:	Vahdat, Mohammad Tohidi, Li, Shaoxian, Huang, Shiqi, Bondaz, Luc, Bonnet, Nicéphore, Hsu, Kuang-Jung, Marzari, Nicola, Agrawal, Kumar Varoon
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Chemical and Catalytic Reactivity at Interfaces
Online-Zugang:	Volltext
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