Lithium intercalation into PAN-based carbon fiber materials

High energy density PAN-based carbon fiber anode materials for lithium-ion type batteries were developed. Commercially available organic precursors were thermally converted to carbons. The effects of precursor material, carbonization temperature, heating ramp rate, soak time and gaseous atmosphere during the thermal treatment on the electrochemical performance of the carbon fibers were studied. In order to evaluate the electrochemical performance of the carbon fibers, test cells were assemble using the carbon materials prepared in the laboratory and intercalation/deintercalation experiments were performed. The results indicated that the highest reversible capacity and lowest irreversible capacity loss was obtained for carbon fibers carbonized at 1100C at fast ramp rate of 26C/min. X-ray diffraction experiments revealed a relation between the capacity and the irreversible capacity loss on first cycle, and the size of the crystallites Lc. A phenomenological explanation for this behavior was developed. Using electrochemical impedance spectroscopy the diffusion coefficient of Li in the tested carbon fibers was calculated. In addition, the influence of electrolyte composition (solvent and salt) on the reversible and irreversible capacities as well as on the intercalation/deintercalation potential profile was investigated. An electrolyte containing 1M LiPF6 in EC:DEC:DMC (40:30:30 v/o) proved to be most suitable for these carbon fiber materials improving significantly their electrochemical performance. Finally, coin cells were assembled containing the carbon fiber material prepared in the laboratory. They were tested for reversible and irreversible capacity. The coin cells proved that the synthesized carbon anode materials possess high energy density and could be used in commercial applications.