I need to analyze XRD data to discuss the crystal defects in zeolites which I have synthesized in different conditions. Can I use stacking fault value, microstrain, and dislocation density for that purpose? I could not find a good explanation for that calculation. So can someone suggest me a good reference for that, please?
Dear Dilini Perera,
You may want to review the following sources:
How to determine the dislocation density by XRD and subsequent analysis?
https://www.researchgate.net/post/How-to-determine-the-dislocation-density-by-XRD-and-subsequent-analysis
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Zeolite Y: Synthesis, Modification, and Properties—A Case Revisited
Y zeolites dealuminated by steaming were introduced as fluid-cracking catalysts in the year 1970. Extensive research has been done to develop suitable dealumination techniques, to investigate crystal structure, and to characterize catalytic behavior. However, the origin of the secondary pore system formed in the zeolite structure during dealumination process remained completely obscure over a period of four decades. Open questions concerned also the existence of extra framework siliceous admixture in addition to extra framework aluminum species which can dramatically change the catalytic properties of these zeolites. This paper gives a review on the synthesis of DAY materials and provides some answers to several open questions
https://www.hindawi.com/journals/amse/2014/724248/
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Impact of crystalline defects and size on X-ray line broadening: A phenomenological approach for tetragonal SnO2 nanocrystals
https://aip.scitation.org/doi/10.1063/1.4921452
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Impact of crystalline defects and size on X-ray line broadening: A phenomenological approach for tetragonal SnO2 nanocrystals
https://journals.iucr.org/j/issues/2015/03/00/nb5138/nb5138.pdf
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Yes, you can use stacking fault value, microstrain, and dislocation density to analyze crystal defects in zeolites. Stacking fault value is a measure of the degree of deviation from the ideal crystal structure, microstrain is a measure of the deviation of the crystal lattice from its ideal geometry, and dislocation density is a measure of the density of defects in the crystal lattice.
A good reference for calculating these values from XRD data is "High-Resolution X-ray Diffraction: A Practical Approach" by J.A. Kaduk. It provides detailed explanations and examples of how to analyze XRD data and calculate stacking fault value, microstrain, and dislocation density.
Additionally, "X-Ray Diffraction: A Practical Approach" by C.S. Barrett and "X-Ray Diffraction and the Identification and Analysis of Clay Minerals" by R.J. Reeder are also good references for this type of analysis.
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