A reconsideration of the relationship between the crystallite size La of carbons determined by X-ray diffraction and Raman spectroscopy

Non-graphitic carbon materials produced by pyrolyzing wood at temperatures from 400 to 2400 °C and various types of commercial carbon fibers were examined by X-ray diffraction and Raman spectroscopy. The specimens cover a wide range of crystallite sizes La, in particular also very small sizes below 2 nm. The X-ray data were evaluated using the Scherrer equation and by an advanced approach using full curve fitting. The ratio of the D/G band intensities was determined from the Raman data by different evaluation techniques. A critical assessment of the classical linear relationship between 1/La and the D/G ratio shows that the relationship breaks down for crystallite sizes below 2 nm in accordance with recent theoretical predictions. The results are compared with data from the literature, showing that there are additional discrepancies between the data from various carbon types at large La due to different methods of data evaluation.