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- W1650006648 abstract "This dissertation describes studies of the crystal structure of disordered carbons and the electrochemical intercalation of lithium in the disordered carbons. One of the most important applications of carbons is as an electrode material in rechargable lithium-ion (rocking chair) battery systems. These usually use carbon as the anode and thus depend on the related behavior of lithium intercalation in carbons. An important quantity for measuring the performance of such a battery is the maximum reversible capacity, which strongly depends on the carbon crystal structure. In order to study the structure of disordered carbons, we have developed a structural model for disordered carbons and a corresponding automated structure refinement program for X-ray powder diffraction patterns of disordered carbons. These diffraction patterns can be complex to interpret because of the complicated nature of layer stacking in disordered carbons. The structural model used in the refinement program is divided into two cases, the one-layer model (for highly disordered carbons) and the two-layer model (for graphitic carbons). Some of the important parameters of the model are, for example, (1) the probability P of finding a random shift between layers, which is large for disordered carbons like coke and carbon fibers, small for heat treated synthetic graphitic carbons and practically zero for natural graphite; (2) Pt, the probability of finding a local 3R stacking fault in graphitic carbons; (3) 1 g (only in the one layer model), the percentage of unorganized carbon in disordered carbons; (4) (, a dimensionless parameter for measuring in-plane strain in the carbon layer; (5) the finite size of carbon grains La (parallel to the layers) and LC (perpendicular to the layers); (6) fluctuations 4 in the spacing between adjacent layers; (7) the average lattice constants, c and a; (8) the constant background and other important quantities. The program minimizes the difference between the observed and calculated diffraction profiles in a least-squares sense by optimizing model parameters analogously to the popular Rietveld refinement method. Unlike the Rietveld method, which is designed for crystalline materials, this program allows the quantification of the finite size, strain and disorder present in disordered carbon fibers and cokes. We have used our model and program ' to fit over 50 carbons from Canadian, US and Japanese sources. These include cokes, heat treated cokes, fibers, synthetic graphites and mesocarbon etc.. The structural data have been correlated to the maximum reversible capacity, x,,,, of Li/Li,C6 electrochemical cells to determine how the carbon structure influences the intercalation of lithium. A phenomenological picture which explains the trends in the data has been proposed, which allows us to predict x,,, for any carbon, given its structural parameters. We are able to understand qualitatively the variation in x,, with heat treatment temperature and with the types of disorder present in both hard and soft carbons. A general statement about which classes of carbons are most suitable as anodes in lithium-ion cells has been made in the conclusion and some suggestions for future research directions are given. 'This program is available from the author" @default.
- W1650006648 created "2016-06-24" @default.
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- W1650006648 date "1993-01-01" @default.
- W1650006648 modified "2023-09-28" @default.
- W1650006648 title "DISORDERED CARBONS AND BATTERY APPLICATIONS" @default.
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- W1650006648 hasPublicationYear "1993" @default.
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