The structural study of materials at the atomic level is crucial for understanding their physical and chemical properties. Accurate knowledge of the atomic structure allows us to gain detailed insight into the material, helps us to explain the processes within and guides the development of new materials.
In my doctoral dissertation, I describe a detailed analysis of the atomic structure of microporous materials. My research primarily focuses on the combined use of two experimental approaches: total scattering analysis, which encompasses both Bragg diffraction and diffuse scattering, and nuclear magnetic resonance spectroscopy of various isotopes. The aforementioned type of material presents a particular challenge in determining its exact atomic structure, as it consists of light atoms with low atomic density and is often not fully crystalline. The latter is especially intriguing, as it requires us to explore structural motifs that lack long-range order.
I have given special emphasis to two examples of microporous materials, which are extremely interesting both from a foundamental scientific perspective and in terms of technological applicability. I decided to study zeolite and aluminophosphate, both of which are microporous and exhibit a well-defined LTA (Linde Type A) structural topology. These materials have the ability to store energy in the form of heat through the sorption of water from the atmosphere. This molecular process is reversible, and the materials are environmentally friendly, making their further development for commercial application highly attractive. For zeolite, I focused mainly on analyzing structural changes induced by post-synthetic modification with EDTA. In the case of aluminophosphate, I conducted a detailed analysis of its structural motifs in the hydrated state, which is structurally highly disordered, and ultimately the result of the study was the construction of the first comprehensive structural model.
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