Atomic-Scale Understanding about Coke Carbon Structural Evolution by Experimental Characterization and ReaxFF Molecular Dynamics

Atomic-scale structural transformation of coke carbon in the thermal annealing process was investigated with four coke carbon samples using X-ray diffraction, Raman spectroscopy, X-ray photoemission spectroscopy, and ReaxFF molecular dynamics. Microcrystal graphite was confirmed to be the basic structural unit in coke carbon structure, and its average size increased from (L c: 23–27 Å; L a: 48–50 Å) to (L c: 53–78 Å; L a: 53–63 Å) with …