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Structural Models of Fluorine-Graphite Intercalation Compounds from Density Functional Theory †

✍ Scribed by Bettinger, Holger F.; Kudin, Konstantin N.; Scuseria, Gustavo E.

Book ID
126471553
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
70 KB
Volume
108
Category
Article
ISSN
1089-5639

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Fluorine-graphite intercalation compounds have been prepared from HOPG and natural graphite powder in the presence of a fluoride such as AgF, WF,, or SbF, at room temperature. The C,F samples obtained were quasi stage 1, 2, and 3 compounds with compositions of Cz ,F-CU hF. The stage 1 hases in the a

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The rate of fluorine intercalation in graphite is larger in the present system than in other metal fluorides examined previously. X-ray diffraction data indicate that C,F belongs to a hexagonal system with a superlattice of a, = 2a, in the ab plane, accompanying some amount of a bi-intercalation pha