Projects and grants

Phyllosilicates intercalated with organic molecules as precursors of electrically conductive materials

SP2024/041

Research within this project aims to map the possibilities of preparing electrically conductive materials obtained in an inert atmosphere by calcining phyllosilicates intercalated with electrically non-conductive organic compounds. Currently, it is known that composites exhibiting electrical conductivity due to the presence of graphitic/graphene structures can be prepared in inert atmosphere by calcining composites of phyllosilicate/electrically conductive polymer type (e.g. polyaniline or polypyrrole; https://doi.org/10.1016/j.jeurceramsoc.2014.03.021, https://doi.org/10.1016/j.tsf.2017.01.065, https://doi.org/10.1016/j.materresbull.2021.111429). This in situ preparation is an alternative to mixing the selected material with a commercially available electrically conductive component based on graphite/graphene nanoplatelets (https://doi.org/10.3390/ma13163586, https://doi.org/10.3390/ceramics3010005, https://doi.org/10.1134/S0020168518060110). Problem of thorough homogenization of the mixture arises when only simple mixing is used, as well as the problem of the price of the conductive component, especially in the case of graphene. Easy and cheap in situ preparation therefore deserves attention. However, unanswered questions remain not only whether the polymerization step is necessary, but also whether the presence of aromatic nuclei is a necessary condition for the formation of graphitic structures under the given conditions. Another important question is the possibility of preparation. To answer the first question, a series of phyllosilicates intercalated with different amounts of polymer precursors will be prepared, these samples will be calcined in inert atmosphere, and then their electrical conductivity will be measured, and the composition, structure and morphology will be analyzed using X-ray diffraction, infrared spectroscopy, Raman spectroscopy and microspectroscopy, X-ray fluorescence spectroscopy, elemental analysis, transmission electron microscopy, thermogravimetry, molecular modeling using force fields and structure compatibility calculations (https://doi.org/10.1016/j.apsusc.2013.07.073, https://doi.org/10.1016/j.apsusc.2021.148966). To answer the second question, a series of phyllosilicates intercalated with various amounts of organic substances not containing an aromatic ring (glucose, tetrabutylammonium, cetylpyridinium, etc.) will be prepared and these samples will also be calcined in inert atmosphere. The electrical conductivity of these calcined materials will be measured and their structure, composition and morphology will be analyzed using the same methods as in the previous case. In addition to the intentional intercalation of phyllosilicates with electrically non-conductive organic compounds in order to obtain input material for calcination, the research within this project aims to verify the possibility of using phyllosilicate-based sorbents with captured drugs to obtain electrically conductive materials. Organophilized sorbents based on phyllosilicates are suitable for removing drugs from the aqueous environment, but their regeneration is not always an optimal solution. If, as in the case of phyllosilicates, sorbents are widely available and cheap, it is possible to use them only once and then calcine the sorbent with the captured drug molecules. A functional, electrically conductive material can thus be prepared from the waste product, while the captured drugs will be completely eliminated by this process. For this part of the research, various organophilized phyllosilicates from the smectite group (hectorite, montmorillonite, beidellite, nontronite) will be used, and their applicability in the sorption of theophylline, ampicilin, and lamotrigine from aqueous environment will be studied. In addition to finding the most suitable phyllosilicate-based sorbent for removing the mentioned drugs from the aqueous environment and finding out the mechanism of sorption of these drugs on the given phyllosilicate-based sorbents, the sorbents with captured drugs will be calcined in an inert atmosphere just like the intentionally intercalated samples mentioned above. The electrical conductivity of these calcined materials will be measured and their structure, composition and morphology will be analyzed using the same methods as in the previous cases. For all calcined materials, the electrical conductivity will be correlated with the carbon content in the material, while attention will be paid in particular to the degree of graphitization and the presence of single- or multi-layer graphene. Project timeline: 01/2024 – 06/2024 Intercalation of phyllosilicates by electrically non-conductive organic molecules. Preparation of organophilized phyllosilicates as drug sorbents. Calcination of phyllosilicates intercalated with electrically non-conductive organic molecules. Sorption experiments. Analyzes of composition, structure and morphology of calcined materials. Measurement of electrical conductivity of the calcined materials. 07/2024 – 12/2024 Calcination of phyllosilicate-based sorbents containing drug molecules. Analyzes of composition, structure and morphology of calcined materials. Measurement of electrical conductivity of calcined materials. Division of work and tasks among team members _______________________________________________________________ Assoc.-Prof. Ing. Jonáš Tokarský, Ph.D. – principal investigator – supervisor of Jonáš Molek's master's thesis – molecular modeling – structure compatibility calculations – electrical conductivity measurements – project administration – preparation of outputs Ing. Silvie Vallová, Ph.D. – supervisor of Klára Výšková Molek's master's thesis – characterization of materials using thermogravimetry – preparation of outputs Assoc.-Prof. Ing. Michal Ritz, Ph.D. – supervisor of Zuzana Pěgřimočová's doctoral thesis – characterization of materials using infrared and Raman spectroscopy – preparation of outputs Ing. Markéta Davidová – Ph.D. student – intercalation of phyllosilicates with electrically non-conductive organic compounds – characterization of materials using XRD diffraction – electrical conductivity measurements – preparation of outputs Ing. Zuzana Pěgřimočová – Ph.D. student – characterization of materials using infrared and Raman spectroscopy – preparation of outputs Bc. Klára Výšková – master's student – preparation of organophilized phyllosilicates as sorbents of drug molecules – implementation of sorption experiments – preparation of outputs Bc. Jonáš Molek – master's student – molecular modeling – structure compatibility calculations – preparation of outputs

2024

2024

Ministerstvo školství, mládeže a tělovýchovy

SGS

Specifický výzkum VŠB-TUO

Tokarský Jonáš doc. Ing., Ph.D.