For the determination of chalcopyrite the XRD patterns were collected again using a
D8 Advance diffractometer (Brucker, Germany) with the Cu
Kα radiation in the Bragg‐Brentano configuration. The generator was set up at 40 kV and 40 mA. The divergence and receiving slits were 0.3° and 0.1 mm, respectively. The XRD patterns were recorded in the range of 20–65° 2θ with a step of 0.05°. The XRD line broadening was analyzed by the refinement of regular Thompson‐Cox‐Hastings pseudo‐Voigt function parameters. In order to obtain proper geometry set‐up and to eliminate instrumental broadening the instrumental resolution function was determined by refinement of LaB6 standard specimen. The JCPDS PDF database was utilized for phase identification.
For determination of the crystalline phase content of CuFeS
2 the relative method put forward by Ohlberg and Strickler was used.
[31] The effect of mechanical activation can be evaluated by a mass fraction of the crystalline phase in the activated sample (crystallinity degree), X compared with the reference substance (non‐activated) which is assumed to correspond to 100 % crystallinity. Thus it holds that
where U
o and U
x denote the backgrounds of non‐activated (reference) and activated sample while I
o and I
x are integral intensities of diffraction lines of non‐activated (reference) and activated samples, respectively.
Baláž P., Dutková E., Baláž M., Džunda R., Navrátil J., Knížek K., Levinský P, & Hejtmánek J. (2021). Mechanochemistry for Energy Materials: Impact of High‐Energy Milling on Chemical, Electric and Thermal Transport Properties of Chalcopyrite CuFeS2 Nanoparticles. ChemistryOpen, 10(8), 806-814.