Microscopic physical and chemical properties of graphite intercalation compounds. Final report, August 1, 1984--July 31, 1985

Technical Report · Mon Aug 24 04:00:00 EDT 1992

DOI:https://doi.org/10.2172/10182617· OSTI ID:10182617

Eklund, P C

Optical spectroscopy (Raman, FTIR and Reflection ) was used to study a variety of acceptor- and donor-type compounds synthesized to determine the microscopic models consistent with the spectrocsopic results. General finding is that the electrical conduction properties of these compounds can be understood on the basis that the intercalation of atomic and/or molecular species between the host graphite layers either raises or lowers the Fermi level (E{sub F)} in a graphitic band structure. This movement of E{sub F} is accomplished via a charge transfer of electrons from the intercalate layers to the graphitic layers (donor compounds), or vice versa (acceptor compounds). Furthermore, the band structure must be modified to take into account the layers of charge that occur as a result of the charge transfer. This charge layering introduces additional bands of states near E{sub F}, which are discussed. Charge-transfer also induces a perturbation of the graphitic normal mode frequencies which can be understood as the result of a contraction (acceptor compounds) or expansion (donor compounds) of the intralayer C-C bonds. Ab-initio calculations support this view and are in reasonable agreement with experimental data.

• Research Organization: Kentucky Univ., Lexington, KY (United States). Dept. of Physics and Astronomy
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: FG05-84ER45151
• OSTI ID: 10182617
• Report Number(s): DOE/ER/45151--T1; ON: DE93001701
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360606
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201
CHARGE TRANSPORT
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
CHEMICAL BONDS
CLATHRATES
ELECTRIC CONDUCTIVITY
ELECTRONIC STRUCTURE
FERMI LEVEL
GRAPHITE
OPTICAL PROPERTIES
PHYSICAL PROPERTIES
PROGRESS REPORT