Evolutionary Chlorination of Graphene: From Charge-Transfer Complex to Covalent Bonding and Nonbonding

Density functional theory (DFT) studies were performed to investigate the chlorination of graphene. Unlike hydrogenation and fluorination, where the adsorption of H and F is always by covalent C–H/C–F bonding, Cl atoms generate various states when single-sided graphene exposed. In the initial reacti...

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Veröffentlicht in:	Journal of physical chemistry. C 2012-01, Vol.116 (1), p.844-850
Hauptverfasser:	Yang, Mingmei, Zhou, Lin, Wang, Jinying, Liu, Zhongfan, Liu, Zhirong
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Surfaces, Interfaces, Catalysis Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Electron states Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Exact sciences and technology Fullerenes and related materials diamonds, graphite Materials science Methods of electronic structure calculations Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals Physics Specific materials Structure of solids and liquids crystallography
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