Quantitative analysis of lattice disorder and crystallite size in organic semiconductor thin films

Introduction to Advanced X-ray Diffraction Techniques for Polymeric Thin Films

“…While the former involves long-range structural order, the latter typically requires only inter-molecular aggregates. References [3,[7][8][9][10][11][12][13][14] provide in-depth examples of such advanced X-ray studies on polymeric samples.…”

“…Note that this type of peak-shape analysis is done on XRD signals as a function of q. Neglecting the structure factor, it can be shown that the Fourier coefficients of XRD peak shapes of diffraction order m can be factored into size-, non-cumulative disorder-, and cumulative-disorder-dependent terms, A S m (n), A NC m (n), and A C m (n), respectively [10,22,30]:…”

“…The most coarse way to categorize structural disorder is to divide them into non-cumulative and cumulative disorder [10]. Non-cumulative disorders refer to cases in which the atoms' dislocation does not depend on their locations in the crystal.…”

“…However, in-depth analysis on the peak shape to quantify structural disorder has been performed [10].…”

“…The general procedure for Warren-Averbach analysis goes as follows: first, high quality data where multiple peaks are clearly resolved with ample data points are taken (Reference [10] suggests at least 100 data points over full-width-at-half-max).…”