Hello Arjunan Kanagaraj
The shifting of peak reveals a crystalline quality of the materials. It indicates by the blue shift and red shift of the X-ray diffraction patterns and also the variation in 2theta as well as interface distance “d”. From this data, structure of the materials could be predicted.
1. If the shift is towards higher 2 theta (increases) then d values reduces, it gives red shift by decrease in crystallization. Here, FWHM is increases by the decrease in crystallinity.
2. If the shift is towards lower 2 theta (decreases) then d values increases, it gives blue shift by increased in crystallization. Here, FWHM is decreases by the increase in crystallinity
For more description see e-papers
X-ray diffraction (XRD) is a technique used to determine the crystal structure of a material by analyzing the diffraction pattern produced when X-rays are scattered by the material's atomic lattice. The diffraction pattern consists of a series of peaks that correspond to different planes of atoms in the crystal lattice.
When there are variations in the crystal structure or lattice parameters, the position of the XRD peaks can shift to either higher angles or lower angles. This shift in the position of the peak is known as a shift in the "2θ" angle, which is the angle between the incident X-ray beam and the detector.
If the XRD peak shifts towards lower angles, it means that the lattice parameter of the crystal has increased or the crystal structure has expanded. This expansion can be due to factors such as the incorporation of impurities or defects into the crystal structure, or changes in the temperature or pressure of the sample. In other words, a shift towards the lower angle side indicates an increase in the unit cell dimensions.
On the other hand, if the XRD peak shifts towards higher angles, it means that the lattice parameter of the crystal has decreased or the crystal structure has contracted. This contraction can be due to factors such as the removal of atoms from the crystal lattice or the application of external pressure or strain. In other words, a shift towards the higher angle side indicates a decrease in the unit cell dimensions.
It is important to note that the shift in the XRD peak position can be very small, and may require careful analysis of the XRD data to detect. Additionally, other factors such as the quality of the sample preparation and the instrument calibration can also affect the position of the XRD peaks.
- Badges
- Science topic
- Similar topics
- Phytochemistry
- Extracts