Fullerene cations, theoretical studies

Electrochemistry of LB films of fullerenes has been widely studied and remains the subject of much research effort from both theoretical and experimental approaches. Bard etal. have studied basic electrochemistry of Ceo fullerene LB films on an electrode in acetonitrile solutions [23]. The study indicated that reduction of the fullerene films could form insoluble films with incorporated electrolyte cations or lead to dissolution. The study on Cgo LB films has become a focus of considerable interest however, it is difficult to fabricate high-quality LB films of pure Cgo due to its intrinsic hydropho-bicity. Kajiyama et al. applied a multistep creep method as an LB technique for constructing a fairly homogeneous Ceo monolayer, which is regularly packed in a hexagonal array [44]. Kunitake etal. developed the electrochemical replacement method to form epitaxial adlayers of fullerenes on Au(lll) surfaces [45]. The wet process method consists of the transfer of Langmuir films of fullerene onto iodine-modified Au(lll) surfaces at an air-water interface followed by the electrochemical removal and replacement of iodine adlayers with fullerene adlayers in solution. The fullerene adlayers prepared by this method showed excellent quality and uniformity. A visuahzing... 

Since their discovery endohedral flillerenes have been extensively investigated because of their novel structure and properties [1]. Electrical properties have been of major interest owing to a variety of possible applications ranging from qubits for quantum computation [2] to organic photovoltaic devices [3], Our interest in this connection lies in the theoretical determination of the linear and nonUnear optical properties, i.e. the (hyper)polarizabilities, of these materials. For that purpose we have chosen initially to study the prototypical metal endohedral fullerene, Li C6o, and its cation [Li C6o] . ... 

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