Atomistic models of pyrolytic carbons obtained with the IGAR method
Résumé
This study aims at obtaining atomistic representations of these RL and ReL pyCs and at describing their nano-texture/structure. We will first describe some improvements in the IGAR method. Then, the nature of defects in these materials, in terms of non-hexagonal rings and screw dislocations, as well as their hydrogen atoms contents and locations, will be thoroughly compared and discussed. These models will also be validated against experimental HRTEM images and pair distribution functions (PDF) (and structure factors) obtained from neutron diffraction.
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